CID 71326072

3-methyl-2-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(CCCNC1=O)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8-5(7)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
ZHFYGKPIJJBFJH-UHFFFAOYSA-N
Compound name
3-methyl-2-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.3
[M+Na]+ 180.063118 138.8
[M-H]- 156.066624 131.7
[M+NH4]+ 175.107723 152.3
[M+K]+ 196.037058 137.2
[M+H-H2O]+ 140.071160 127.7
[M+HCOO]- 202.072101 148.9
[M+CH3COO]- 216.087751 169.7
[M+Na-2H]- 178.048566 137.0
[M]+ 157.07335142 127.0
[M]- 157.07444858 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