CID 43092437

3-(cyclohexylformamido)butanoic acid

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(CC(=O)O)NC(=O)C1CCCCC1
InChI
InChI=1S/C11H19NO3/c1-8(7-10(13)14)12-11(15)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKey
RDQVGLDLIKZCOJ-UHFFFAOYSA-N
Compound name
3-(cyclohexanecarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.6
[M+Na]+ 236.12571 152.5
[M-H]- 212.12921 151.4
[M+NH4]+ 231.17031 167.5
[M+K]+ 252.09965 151.7
[M+H-H2O]+ 196.13375 144.5
[M+HCOO]- 258.13469 167.7
[M+CH3COO]- 272.15034 187.2
[M+Na-2H]- 234.11116 150.8
[M]+ 213.13594 145.2
[M]- 213.13704 145.2
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.