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

134
Patents

145.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 130.0
[M+Na]+ 168.078358 141.1
[M-H]- 144.081864 133.9
[M+NH4]+ 163.122963 150.0
[M+K]+ 184.052298 137.9
[M+H-H2O]+ 128.086400 118.6
[M+HCOO]- 190.087341 150.8
[M+CH3COO]- 204.102991 190.5
[M+Na-2H]- 166.063806 136.2
[M]+ 145.08859142 126.1
[M]- 145.08968858 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