CID 5374281

Trans-4-dimethylaminocinnamonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C#N
InChI
InChI=1S/C11H12N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h3-8H,1-2H3/b4-3+
InChIKey
CSCOHKCYDZVRMQ-ONEGZZNKSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

170
Patents

172.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 141.4
[M+Na]+ 195.08927 153.4
[M+NH4]+ 190.13387 146.8
[M+K]+ 211.06321 143.2
[M-H]- 171.09277 137.4
[M+Na-2H]- 193.07472 146.1
[M]+ 172.09950 141.2
[M]- 172.10060 141.2
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