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]+ 156.10192 137.2
[M+Na]+ 178.08386 142.1
[M-H]- 154.08736 136.5
[M+NH4]+ 173.12846 150.7
[M+K]+ 194.05780 142.8
[M+H-H2O]+ 138.09190 127.7
[M+HCOO]- 200.09284 154.2
[M+CH3COO]- 214.10849 174.8
[M+Na-2H]- 176.06931 141.5
[M]+ 155.09409 142.8
[M]- 155.09519 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.