CID 13437414

2-(benzylamino)-2-methylpropanenitrile

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)(C#N)NCC1=CC=CC=C1
InChI
InChI=1S/C11H14N2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
HBTDFZYBFUTDRP-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 143.9
[M+Na]+ 197.104908 152.1
[M-H]- 173.108414 146.8
[M+NH4]+ 192.149513 161.7
[M+K]+ 213.078848 149.1
[M+H-H2O]+ 157.112950 131.5
[M+HCOO]- 219.113891 163.5
[M+CH3COO]- 233.129541 195.8
[M+Na-2H]- 195.090356 150.8
[M]+ 174.11514142 138.1
[M]- 174.11623858 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