CID 277921

4-cyclobutylbenzoic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2,(H,12,13)
InChIKey
PPXSFFCOYUIJKD-UHFFFAOYSA-N
Compound name
4-cyclobutylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.2
[M+Na]+ 199.07294 139.6
[M-H]- 175.07644 139.4
[M+NH4]+ 194.11754 147.0
[M+K]+ 215.04688 140.4
[M+H-H2O]+ 159.08098 123.2
[M+HCOO]- 221.08192 154.5
[M+CH3COO]- 235.09757 181.5
[M+Na-2H]- 197.05839 138.7
[M]+ 176.08317 140.7
[M]- 176.08427 140.7
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

patents stripe