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

11
Patents

155.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.0
[M+Na]+ 178.04746 137.6
[M-H]- 154.05096 132.8
[M+NH4]+ 173.09206 144.3
[M+K]+ 194.02140 139.8
[M+H-H2O]+ 138.05550 121.3
[M+HCOO]- 200.05644 150.2
[M+CH3COO]- 214.07209 177.2
[M+Na-2H]- 176.03291 134.4
[M]+ 155.05769 139.1
[M]- 155.05879 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