CID 24260161

3-cyclopropyl-3-phenylpropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe