CID 64255058

1339672-48-8

Structural Information

Molecular Formula
C7H9NO3
SMILES
C=CC(=O)N1CC(C1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-2-6(9)8-3-5(4-8)7(10)11/h2,5H,1,3-4H2,(H,10,11)
InChIKey
CUHNIWKJWIPCER-UHFFFAOYSA-N
Compound name
1-prop-2-enoylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 132.0
[M+Na]+ 178.047458 137.6
[M-H]- 154.050964 132.8
[M+NH4]+ 173.092063 144.3
[M+K]+ 194.021398 139.8
[M+H-H2O]+ 138.055500 121.3
[M+HCOO]- 200.056441 150.2
[M+CH3COO]- 214.072091 177.2
[M+Na-2H]- 176.032906 134.4
[M]+ 155.05769142 139.1
[M]- 155.05878858 139.1
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

patents stripe