CID 57929687

3,5-dicyclopropylbenzoic acid

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CC1C2=CC(=CC(=C2)C(=O)O)C3CC3
InChI
InChI=1S/C13H14O2/c14-13(15)12-6-10(8-1-2-8)5-11(7-12)9-3-4-9/h5-9H,1-4H2,(H,14,15)
InChIKey
LCIRPHOZLHVGCS-UHFFFAOYSA-N
Compound name
3,5-dicyclopropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

202.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 146.7
[M+Na]+ 225.08860 154.3
[M-H]- 201.09210 155.4
[M+NH4]+ 220.13320 154.1
[M+K]+ 241.06254 151.7
[M+H-H2O]+ 185.09664 140.8
[M+HCOO]- 247.09758 166.1
[M+CH3COO]- 261.11323 196.4
[M+Na-2H]- 223.07405 149.1
[M]+ 202.09883 149.6
[M]- 202.09993 149.6
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