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]+ 188.091736 141.1
[M+Na]+ 210.073678 145.2
[M-H]- 186.077184 143.1
[M+NH4]+ 205.118283 159.5
[M+K]+ 226.047618 145.8
[M+H-H2O]+ 170.081720 135.3
[M+HCOO]- 232.082661 161.5
[M+CH3COO]- 246.098311 178.9
[M+Na-2H]- 208.059126 143.9
[M]+ 187.08391142 139.2
[M]- 187.08500858 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.