CID 132343717

2138278-63-2

Structural Information

Molecular Formula
C9H13NO5
SMILES
COC(=O)C1CCCN(C1=O)CC(=O)O
InChI
InChI=1S/C9H13NO5/c1-15-9(14)6-3-2-4-10(8(6)13)5-7(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKey
JYCLLXFMDZSJIA-UHFFFAOYSA-N
Compound name
2-(3-methoxycarbonyl-2-oxopiperidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07938 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08666 143.8
[M+Na]+ 238.06860 149.7
[M-H]- 214.07210 144.3
[M+NH4]+ 233.11320 160.1
[M+K]+ 254.04254 149.3
[M+H-H2O]+ 198.07664 137.6
[M+HCOO]- 260.07758 160.9
[M+CH3COO]- 274.09323 183.8
[M+Na-2H]- 236.05405 145.1
[M]+ 215.07883 142.7
[M]- 215.07993 142.7
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.