CID 4472712

1-acetylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKey
JACZWLDAHFCGCC-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.5
[M+Na]+ 194.078758 141.8
[M-H]- 170.082264 136.8
[M+NH4]+ 189.123363 154.6
[M+K]+ 210.052698 141.2
[M+H-H2O]+ 154.086800 130.6
[M+HCOO]- 216.087741 153.3
[M+CH3COO]- 230.103391 176.0
[M+Na-2H]- 192.064206 138.7
[M]+ 171.08899142 132.4
[M]- 171.09008858 132.4
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