CID 165464002

2770359-15-2

Structural Information

Molecular Formula
C9H13NO5
SMILES
C1CC(=O)OC1C(=O)NCCCC(=O)O
InChI
InChI=1S/C9H13NO5/c11-7(12)2-1-5-10-9(14)6-3-4-8(13)15-6/h6H,1-5H2,(H,10,14)(H,11,12)
InChIKey
ZGDMRQNIDFVWPA-UHFFFAOYSA-N
Compound name
4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07938 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08666 146.1
[M+Na]+ 238.06860 151.0
[M-H]- 214.07210 148.4
[M+NH4]+ 233.11320 163.6
[M+K]+ 254.04254 151.3
[M+H-H2O]+ 198.07664 140.5
[M+HCOO]- 260.07758 166.6
[M+CH3COO]- 274.09323 184.6
[M+Na-2H]- 236.05405 148.0
[M]+ 215.07883 145.9
[M]- 215.07993 145.9
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.