CID 9964218

(e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
CC1=CC(=CC(=C1N)C)/C=C/C#N
InChI
InChI=1S/C11H12N2/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h3-4,6-7H,13H2,1-2H3/b4-3+
InChIKey
JNRBSZUSHVFWIK-ONEGZZNKSA-N
Compound name
(E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

172.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 139.8
[M+Na]+ 195.08927 152.0
[M+NH4]+ 190.13387 144.8
[M+K]+ 211.06321 142.0
[M-H]- 171.09277 135.4
[M+Na-2H]- 193.07472 143.6
[M]+ 172.09950 139.5
[M]- 172.10060 139.5
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