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]+ 186.11248 141.1
[M+Na]+ 208.09442 146.4
[M-H]- 184.09792 140.1
[M+NH4]+ 203.13902 158.1
[M+K]+ 224.06836 144.6
[M+H-H2O]+ 168.10246 135.5
[M+HCOO]- 230.10340 156.0
[M+CH3COO]- 244.11905 178.4
[M+Na-2H]- 206.07987 141.5
[M]+ 185.10465 135.9
[M]- 185.10575 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.