CID 66545179

Methyl 6-cyano-3-methoxy-2-methylbenzoate

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1=C(C=CC(=C1C(=O)OC)C#N)OC
InChI
InChI=1S/C11H11NO3/c1-7-9(14-2)5-4-8(6-12)10(7)11(13)15-3/h4-5H,1-3H3
InChIKey
WPXGTTINFFCURX-UHFFFAOYSA-N
Compound name
methyl 6-cyano-3-methoxy-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.8
[M+Na]+ 228.06312 153.9
[M+NH4]+ 223.10772 145.8
[M+K]+ 244.03706 145.6
[M-H]- 204.06662 135.8
[M+Na-2H]- 226.04857 145.0
[M]+ 205.07335 141.0
[M]- 205.07445 141.0
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

No patent data available for this compound.