CID 28702607

2-methyl-2-{[(4-methylphenyl)methyl]amino}propanenitrile

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 147.5
[M+Na]+ 211.12057 156.2
[M-H]- 187.12407 150.7
[M+NH4]+ 206.16517 165.2
[M+K]+ 227.09451 153.1
[M+H-H2O]+ 171.12861 135.3
[M+HCOO]- 233.12955 166.9
[M+CH3COO]- 247.14520 199.6
[M+Na-2H]- 209.10602 153.4
[M]+ 188.13080 142.4
[M]- 188.13190 142.4
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.