CID 17939330

2-(2-cyclohexylacetamido)propanoic acid

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C(=O)O)NC(=O)CC1CCCCC1
InChI
InChI=1S/C11H19NO3/c1-8(11(14)15)12-10(13)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey
XYROYDOGHLSWPI-UHFFFAOYSA-N
Compound name
2-[(2-cyclohexylacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.5
[M+Na]+ 236.12571 157.0
[M+NH4]+ 231.17031 156.6
[M+K]+ 252.09965 153.6
[M-H]- 212.12921 150.2
[M+Na-2H]- 234.11116 152.3
[M]+ 213.13594 150.7
[M]- 213.13704 150.7
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