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]+ 153.090996 124.7
[M+Na]+ 175.072938 128.0
[M-H]- 151.076444 129.4
[M+NH4]+ 170.117543 131.6
[M+K]+ 191.046878 132.2
[M+H-H2O]+ 135.080980 110.6
[M+HCOO]- 197.081921 141.6
[M+CH3COO]- 211.097571 186.7
[M+Na-2H]- 173.058386 127.6
[M]+ 152.08317142 137.3
[M]- 152.08426858 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.