CID 277171

1-phenylcyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC(C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey
JHZRNLRTNIDFKG-UHFFFAOYSA-N
Compound name
1-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

176.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.8
[M+Na]+ 199.07294 142.3
[M-H]- 175.07644 142.1
[M+NH4]+ 194.11754 151.3
[M+K]+ 215.04688 143.1
[M+H-H2O]+ 159.08098 126.6
[M+HCOO]- 221.08192 157.1
[M+CH3COO]- 235.09757 180.0
[M+Na-2H]- 197.05839 142.9
[M]+ 176.08317 143.2
[M]- 176.08427 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe