CID 5248228

2-[1-(acetamidomethyl)cyclohexyl]acetic acid

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(=O)NCC1(CCCCC1)CC(=O)O
InChI
InChI=1S/C11H19NO3/c1-9(13)12-8-11(7-10(14)15)5-3-2-4-6-11/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKey
FNUJAQMRFKOBKB-UHFFFAOYSA-N
Compound name
2-[1-(acetamidomethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

213.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 150.7
[M+Na]+ 236.12571 157.8
[M+NH4]+ 231.17031 158.5
[M+K]+ 252.09965 151.8
[M-H]- 212.12921 150.7
[M+Na-2H]- 234.11116 154.5
[M]+ 213.13594 151.3
[M]- 213.13704 151.3
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