CID 21450689

(2e)-3-(3-aminophenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC(=CC(=C1)N)/C=C/C#N
InChI
InChI=1S/C9H8N2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-5,7H,11H2/b4-2+
InChIKey
CVKITALHWMTERN-DUXPYHPUSA-N
Compound name
(E)-3-(3-aminophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

144.06874 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 133.1
[M+Na]+ 167.057958 143.0
[M-H]- 143.061464 136.1
[M+NH4]+ 162.102563 152.1
[M+K]+ 183.031898 139.2
[M+H-H2O]+ 127.066000 121.0
[M+HCOO]- 189.066941 154.4
[M+CH3COO]- 203.082591 189.0
[M+Na-2H]- 165.043406 139.1
[M]+ 144.06819142 126.0
[M]- 144.06928858 126.0
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

patents stripe