CID 131227140

2503203-78-7

Structural Information

Molecular Formula
C8H13NO2
SMILES
C=CCCC1(CNC1)C(=O)O
InChI
InChI=1S/C8H13NO2/c1-2-3-4-8(7(10)11)5-9-6-8/h2,9H,1,3-6H2,(H,10,11)
InChIKey
BFTPYILNGZCUQQ-UHFFFAOYSA-N
Compound name
3-but-3-enylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 137.2
[M+Na]+ 178.083858 142.1
[M-H]- 154.087364 136.5
[M+NH4]+ 173.128463 150.7
[M+K]+ 194.057798 142.8
[M+H-H2O]+ 138.091900 127.7
[M+HCOO]- 200.092841 154.2
[M+CH3COO]- 214.108491 174.8
[M+Na-2H]- 176.069306 141.5
[M]+ 155.09409142 142.8
[M]- 155.09518858 142.8
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.