CID 131532104

2092031-18-8

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC(=C2CC(C2)C(=O)O)C1
InChI
InChI=1S/C9H12O2/c10-9(11)8-4-7(5-8)6-2-1-3-6/h8H,1-5H2,(H,10,11)
InChIKey
BJEJWVXCBBFNMA-UHFFFAOYSA-N
Compound name
3-cyclobutylidenecyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 139.4
[M+Na]+ 175.07294 140.1
[M+NH4]+ 170.11754 139.3
[M+K]+ 191.04688 139.2
[M-H]- 151.07644 135.6
[M+Na-2H]- 173.05839 138.5
[M]+ 152.08317 135.9
[M]- 152.08427 135.9
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.