CID 5287883

(e)-carveol,(e)-p-mentha-6,8-dien-2-ol,trans-1-methyl-4-isoprpenyl-6-cyclohexen-2-ol

Structural Information

Molecular Formula
C15H29NO4
SMILES
CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O
InChI
InChI=1S/C15H29NO4/c1-9(2)12(15(19)20)14(18)13(17)11(16)8-10-6-4-3-5-7-10/h9-14,17-18H,3-8,16H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1
InChIKey
VCIPTNRIUQKMFQ-REWJHTLYSA-N
Compound name
(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.20966 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.216936 173.3
[M+Na]+ 310.198878 171.6
[M-H]- 286.202384 170.0
[M+NH4]+ 305.243483 185.2
[M+K]+ 326.172818 170.9
[M+H-H2O]+ 270.206920 167.2
[M+HCOO]- 332.207861 182.4
[M+CH3COO]- 346.223511 200.7
[M+Na-2H]- 308.184326 165.8
[M]+ 287.20911142 165.0
[M]- 287.21020858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.