CID 909948

2-cyclopropylbenzoic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
C1CC1C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C10H10O2/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
InChIKey
NEWMOJFYPOJQIR-UHFFFAOYSA-N
Compound name
2-cyclopropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

162.06808 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.1
[M+Na]+ 185.05730 139.6
[M-H]- 161.06080 136.8
[M+NH4]+ 180.10190 145.5
[M+K]+ 201.03124 136.5
[M+H-H2O]+ 145.06534 124.2
[M+HCOO]- 207.06628 153.2
[M+CH3COO]- 221.08193 178.9
[M+Na-2H]- 183.04275 136.2
[M]+ 162.06753 131.7
[M]- 162.06863 131.7
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