CID 15576825

2-(phenylamino)propanenitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC(C#N)NC1=CC=CC=C1
InChI
InChI=1S/C9H10N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,1H3
InChIKey
OBJMWYAZGBFFNS-UHFFFAOYSA-N
Compound name
2-anilinopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

146.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 133.7
[M+Na]+ 169.07362 142.2
[M-H]- 145.07712 136.8
[M+NH4]+ 164.11822 152.5
[M+K]+ 185.04756 139.5
[M+H-H2O]+ 129.08166 121.3
[M+HCOO]- 191.08260 154.5
[M+CH3COO]- 205.09825 190.8
[M+Na-2H]- 167.05907 140.2
[M]+ 146.08385 127.2
[M]- 146.08495 127.2
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