CID 11672793

1-acetamidocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)NC1(CCCCC1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKey
APYLGUGGCARYFQ-UHFFFAOYSA-N
Compound name
1-acetamidocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.1
[M+Na]+ 208.094418 145.1
[M-H]- 184.097924 142.6
[M+NH4]+ 203.139023 161.3
[M+K]+ 224.068358 144.5
[M+H-H2O]+ 168.102460 136.3
[M+HCOO]- 230.103401 159.9
[M+CH3COO]- 244.119051 179.7
[M+Na-2H]- 206.079866 144.9
[M]+ 185.10465142 136.0
[M]- 185.10574858 136.0
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