CID 242212

2-(benzylamino)acetonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
C1=CC=C(C=C1)CNCC#N
InChI
InChI=1S/C9H10N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,7-8H2
InChIKey
COCONHAJXGRUOC-UHFFFAOYSA-N
Compound name
2-(benzylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

146.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 135.1
[M+Na]+ 169.07362 146.8
[M+NH4]+ 164.11822 140.7
[M+K]+ 185.04756 136.5
[M-H]- 145.07712 130.9
[M+Na-2H]- 167.05907 140.3
[M]+ 146.08385 134.7
[M]- 146.08495 134.7
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