CID 83529057

3-methyl-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(CCC(=O)NC1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-7(6(10)11)3-2-5(9)8-4-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
ZPCFPPPPCGXLQV-UHFFFAOYSA-N
Compound name
3-methyl-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

157.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.3
[M+Na]+ 180.06312 138.8
[M-H]- 156.06662 131.7
[M+NH4]+ 175.10772 152.3
[M+K]+ 196.03706 137.2
[M+H-H2O]+ 140.07116 127.7
[M+HCOO]- 202.07210 148.9
[M+CH3COO]- 216.08775 169.7
[M+Na-2H]- 178.04857 137.0
[M]+ 157.07335 127.0
[M]- 157.07445 127.0
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