CID 5288373

Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide

Structural Information

Molecular Formula
C14H29NO2
SMILES
CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O
InChI
InChI=1S/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1
InChIKey
KGYZGGUJJIVOQX-MELADBBJSA-N
Compound name
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

271
Patents

243.21983 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 165.1
[M+Na]+ 266.20905 164.5
[M-H]- 242.21255 163.3
[M+NH4]+ 261.25365 179.9
[M+K]+ 282.18299 163.0
[M+H-H2O]+ 226.21709 158.9
[M+HCOO]- 288.21803 177.3
[M+CH3COO]- 302.23368 194.4
[M+Na-2H]- 264.19450 160.7
[M]+ 243.21928 157.2
[M]- 243.22038 157.2
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.