CID 44332017

2-cyclopropyl-3-phenylpropanoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC1C(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChIKey
VKKCXEZHVZXEJS-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 138.7
[M+Na]+ 213.088598 146.1
[M-H]- 189.092104 144.7
[M+NH4]+ 208.133203 152.5
[M+K]+ 229.062538 143.1
[M+H-H2O]+ 173.096640 132.3
[M+HCOO]- 235.097581 160.2
[M+CH3COO]- 249.113231 184.4
[M+Na-2H]- 211.074046 143.3
[M]+ 190.09883142 140.0
[M]- 190.09992858 140.0
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