CID 11435258

2,4-dimethoxy-6-methylbenzonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1=CC(=CC(=C1C#N)OC)OC
InChI
InChI=1S/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3
InChIKey
SGXRDFSVDJBEAU-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 134.4
[M+Na]+ 200.06820 146.0
[M-H]- 176.07170 138.6
[M+NH4]+ 195.11280 153.4
[M+K]+ 216.04214 144.1
[M+H-H2O]+ 160.07624 122.7
[M+HCOO]- 222.07718 155.6
[M+CH3COO]- 236.09283 195.1
[M+Na-2H]- 198.05365 140.0
[M]+ 177.07843 133.4
[M]- 177.07953 133.4
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