CID 357954

2-(benzylamino)propanenitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C#N)NCC1=CC=CC=C1
InChI
InChI=1S/C10H12N2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,12H,8H2,1H3
InChIKey
IGJKPBJUVZCBSM-UHFFFAOYSA-N
Compound name
2-(benzylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 137.7
[M+Na]+ 183.08927 145.8
[M-H]- 159.09277 140.6
[M+NH4]+ 178.13387 155.9
[M+K]+ 199.06321 142.9
[M+H-H2O]+ 143.09731 125.1
[M+HCOO]- 205.09825 158.2
[M+CH3COO]- 219.11390 193.6
[M+Na-2H]- 181.07472 143.7
[M]+ 160.09950 131.6
[M]- 160.10060 131.6
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.