CID 21239243

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

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=CC=C(C=C1)NC(C)(C)C#N
InChI
InChI=1S/C11H14N2/c1-9-4-6-10(7-5-9)13-11(2,3)8-12/h4-7,13H,1-3H3
InChIKey
PGYLXQINAHJFEZ-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylanilino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

174.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 143.5
[M+Na]+ 197.10491 152.6
[M-H]- 173.10841 146.9
[M+NH4]+ 192.14951 161.7
[M+K]+ 213.07885 149.7
[M+H-H2O]+ 157.11295 131.5
[M+HCOO]- 219.11389 163.2
[M+CH3COO]- 233.12954 196.8
[M+Na-2H]- 195.09036 149.9
[M]+ 174.11514 138.1
[M]- 174.11624 138.1
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