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]+ 216.086656 143.8
[M+Na]+ 238.068598 149.7
[M-H]- 214.072104 144.3
[M+NH4]+ 233.113203 160.1
[M+K]+ 254.042538 149.3
[M+H-H2O]+ 198.076640 137.6
[M+HCOO]- 260.077581 160.9
[M+CH3COO]- 274.093231 183.8
[M+Na-2H]- 236.054046 145.1
[M]+ 215.07883142 142.7
[M]- 215.07992858 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.