CID 288219

3-methoxy-4-methylphenylacetonitrile

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=C(C=C(C=C1)CC#N)OC
InChI
InChI=1S/C10H11NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5H2,1-2H3
InChIKey
KRGXHARSWLJCGO-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

78
Patents

161.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.7
[M+Na]+ 184.07328 143.6
[M-H]- 160.07678 136.5
[M+NH4]+ 179.11788 152.0
[M+K]+ 200.04722 140.9
[M+H-H2O]+ 144.08132 120.9
[M+HCOO]- 206.08226 153.7
[M+CH3COO]- 220.09791 192.3
[M+Na-2H]- 182.05873 138.8
[M]+ 161.08351 130.0
[M]- 161.08461 130.0
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