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

243
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

literature stripe

Patent stripe

patents stripe