CID 15656847

3-ethyl-2-methylbenzoic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CCC1=C(C(=CC=C1)C(=O)O)C
InChI
InChI=1S/C10H12O2/c1-3-8-5-4-6-9(7(8)2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKey
SRZMKSSXAIRFNR-UHFFFAOYSA-N
Compound name
3-ethyl-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

164.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.2
[M+Na]+ 187.07294 147.0
[M+NH4]+ 182.11754 142.4
[M+K]+ 203.04688 141.1
[M-H]- 163.07644 135.7
[M+Na-2H]- 185.05839 140.3
[M]+ 164.08317 136.4
[M]- 164.08427 136.4
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