CID 591060

Benzoic acid, 2-methoxy-6-methyl-, ethyl ester

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC(=O)C1=C(C=CC=C1OC)C
InChI
InChI=1S/C11H14O3/c1-4-14-11(12)10-8(2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3
InChIKey
GQLSLEBNODXANJ-UHFFFAOYSA-N
Compound name
ethyl 2-methoxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

194.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.2
[M+Na]+ 217.08352 148.7
[M-H]- 193.08702 144.4
[M+NH4]+ 212.12812 160.3
[M+K]+ 233.05746 147.9
[M+H-H2O]+ 177.09156 134.5
[M+HCOO]- 239.09250 164.1
[M+CH3COO]- 253.10815 185.0
[M+Na-2H]- 215.06897 144.9
[M]+ 194.09375 144.6
[M]- 194.09485 144.6
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