CID 45049631

17716-11-9

Structural Information

Molecular Formula
C20H37NO3
SMILES
CCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChI
InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20(23)24/h17-18H,2-16H2,1H3,(H,21,22)(H,23,24)/t17-,18+/m1/s1
InChIKey
IDSKGQXKEMHBCK-MSOLQXFVSA-N
Compound name
(1S,2R)-2-(dodecylcarbamoyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.27734 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.28462 190.0
[M+Na]+ 362.26656 189.2
[M-H]- 338.27006 189.3
[M+NH4]+ 357.31116 202.1
[M+K]+ 378.24050 185.7
[M+H-H2O]+ 322.27460 182.3
[M+HCOO]- 384.27554 205.0
[M+CH3COO]- 398.29119 214.5
[M+Na-2H]- 360.25201 186.1
[M]+ 339.27679 188.9
[M]- 339.27789 188.9
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

patents stripe