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 124.7
[M+Na]+ 175.07294 128.0
[M-H]- 151.07644 129.4
[M+NH4]+ 170.11754 131.6
[M+K]+ 191.04688 132.2
[M+H-H2O]+ 135.08098 110.6
[M+HCOO]- 197.08192 141.6
[M+CH3COO]- 211.09757 186.7
[M+Na-2H]- 173.05839 127.6
[M]+ 152.08317 137.3
[M]- 152.08427 137.3
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.