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

12
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.7
[M+Na]+ 213.08860 146.1
[M-H]- 189.09210 144.7
[M+NH4]+ 208.13320 152.5
[M+K]+ 229.06254 143.1
[M+H-H2O]+ 173.09664 132.3
[M+HCOO]- 235.09758 160.2
[M+CH3COO]- 249.11323 184.4
[M+Na-2H]- 211.07405 143.3
[M]+ 190.09883 140.0
[M]- 190.09993 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