CID 83636455

1516627-62-5

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)C1CCC(C(=O)N1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
QXFGYIHWNBEEGG-UHFFFAOYSA-N
Compound name
2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.1
[M+Na]+ 208.094418 146.4
[M-H]- 184.097924 140.1
[M+NH4]+ 203.139023 158.1
[M+K]+ 224.068358 144.6
[M+H-H2O]+ 168.102460 135.5
[M+HCOO]- 230.103401 156.0
[M+CH3COO]- 244.119051 178.4
[M+Na-2H]- 206.079866 141.5
[M]+ 185.10465142 135.9
[M]- 185.10574858 135.9
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.