CID 14871263

2-cyclopropyl-2-phenylacetic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC1C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKey
PYBNWSBTADSMIW-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.4
[M+Na]+ 199.07294 142.2
[M-H]- 175.07644 140.6
[M+NH4]+ 194.11754 148.8
[M+K]+ 215.04688 139.5
[M+H-H2O]+ 159.08098 128.1
[M+HCOO]- 221.08192 156.2
[M+CH3COO]- 235.09757 181.6
[M+Na-2H]- 197.05839 139.5
[M]+ 176.08317 135.3
[M]- 176.08427 135.3
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

patents stripe