CID 13640314

2-(1-phenylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC1(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c12-10(13)8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
VDILQNWKNNOSKJ-UHFFFAOYSA-N
Compound name
2-(1-phenylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 141.8
[M+Na]+ 199.07294 155.4
[M+NH4]+ 194.11754 152.2
[M+K]+ 215.04688 148.8
[M-H]- 175.07644 151.6
[M+Na-2H]- 197.05839 153.0
[M]+ 176.08317 147.7
[M]- 176.08427 147.7
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