CID 124584467

1931995-22-0

Structural Information

Molecular Formula
C7H11NO3
SMILES
C[C@@H]1C[C@@H](NC(=O)C1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-4-2-5(7(10)11)8-6(9)3-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKey
OZWUPGBEUVJVEN-RFZPGFLSSA-N
Compound name
(2R,4R)-4-methyl-6-oxopiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.2
[M+Na]+ 180.063118 138.7
[M-H]- 156.066624 131.6
[M+NH4]+ 175.107723 150.4
[M+K]+ 196.037058 136.8
[M+H-H2O]+ 140.071160 126.9
[M+HCOO]- 202.072101 148.8
[M+CH3COO]- 216.087751 171.4
[M+Na-2H]- 178.048566 134.9
[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

No patent data available for this compound.