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

literature stripe

Patent stripe

patents stripe