CID 16228277

3-(oxolan-2-ylformamido)propanoic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
C1CC(OC1)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H13NO4/c10-7(11)3-4-9-8(12)6-2-1-5-13-6/h6H,1-5H2,(H,9,12)(H,10,11)
InChIKey
IZDGCWFIWAJGAF-UHFFFAOYSA-N
Compound name
3-(oxolane-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.1
[M+Na]+ 210.07368 145.2
[M-H]- 186.07718 143.1
[M+NH4]+ 205.11828 159.5
[M+K]+ 226.04762 145.8
[M+H-H2O]+ 170.08172 135.3
[M+HCOO]- 232.08266 161.5
[M+CH3COO]- 246.09831 178.9
[M+Na-2H]- 208.05913 143.9
[M]+ 187.08391 139.2
[M]- 187.08501 139.2
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.