CID 28702607

1018265-76-3

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=CC=C(C=C1)CNC(C)(C)C#N
InChI
InChI=1S/C12H16N2/c1-10-4-6-11(7-5-10)8-14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKey
AXYHZCGPJVREMK-UHFFFAOYSA-N
Compound name
2-methyl-2-[(4-methylphenyl)methylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 146.4
[M+Na]+ 211.12057 157.6
[M+NH4]+ 206.16517 151.4
[M+K]+ 227.09451 148.0
[M-H]- 187.12407 141.6
[M+Na-2H]- 209.10602 150.6
[M]+ 188.13080 145.9
[M]- 188.13190 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.