CID 65071747

1-cyclobutylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC(C1)N2CC(C2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)6-4-9(5-6)7-2-1-3-7/h6-7H,1-5H2,(H,10,11)
InChIKey
AORGFUPAYGBVCA-UHFFFAOYSA-N
Compound name
1-cyclobutylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 126.3
[M+Na]+ 178.08386 129.5
[M-H]- 154.08736 129.6
[M+NH4]+ 173.12846 131.8
[M+K]+ 194.05780 134.4
[M+H-H2O]+ 138.09190 111.2
[M+HCOO]- 200.09284 142.0
[M+CH3COO]- 214.10849 187.7
[M+Na-2H]- 176.06931 129.5
[M]+ 155.09409 139.6
[M]- 155.09519 139.6
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.