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

85
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 134.4
[M+Na]+ 199.072938 142.2
[M-H]- 175.076444 140.6
[M+NH4]+ 194.117543 148.8
[M+K]+ 215.046878 139.5
[M+H-H2O]+ 159.080980 128.1
[M+HCOO]- 221.081921 156.2
[M+CH3COO]- 235.097571 181.6
[M+Na-2H]- 197.058386 139.5
[M]+ 176.08317142 135.3
[M]- 176.08426858 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