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 150.1
[M+Na]+ 236.12571 153.2
[M-H]- 212.12921 151.1
[M+NH4]+ 231.17031 169.1
[M+K]+ 252.09965 152.1
[M+H-H2O]+ 196.13375 144.9
[M+HCOO]- 258.13469 168.1
[M+CH3COO]- 272.15034 185.8
[M+Na-2H]- 234.11116 152.8
[M]+ 213.13594 145.7
[M]- 213.13704 145.7
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