CID 144303

2,4-dimethylphenylacetonitrile

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=CC(=C(C=C1)CC#N)C
InChI
InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3
InChIKey
OOWISQLTVOZJJI-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

145.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 130.0
[M+Na]+ 168.07836 141.1
[M-H]- 144.08186 133.9
[M+NH4]+ 163.12296 150.0
[M+K]+ 184.05230 137.9
[M+H-H2O]+ 128.08640 118.6
[M+HCOO]- 190.08734 150.8
[M+CH3COO]- 204.10299 190.5
[M+Na-2H]- 166.06381 136.2
[M]+ 145.08859 126.1
[M]- 145.08969 126.1
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