CID 2797591

2-methyl-2-phenylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

716
Patents

145.08914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 134.9
[M+Na]+ 168.07836 144.6
[M-H]- 144.08186 138.3
[M+NH4]+ 163.12296 154.3
[M+K]+ 184.05230 141.6
[M+H-H2O]+ 128.08640 123.3
[M+HCOO]- 190.08734 154.1
[M+CH3COO]- 204.10299 188.8
[M+Na-2H]- 166.06381 142.3
[M]+ 145.08859 129.7
[M]- 145.08969 129.7
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