CID 5374281

P-(dimethylamino)cinnamonitrile

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

165
Patents

172.10005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 140.2
[M+Na]+ 195.089268 149.5
[M-H]- 171.092774 144.6
[M+NH4]+ 190.133873 159.0
[M+K]+ 211.063208 146.7
[M+H-H2O]+ 155.097310 127.5
[M+HCOO]- 217.098251 162.0
[M+CH3COO]- 231.113901 198.3
[M+Na-2H]- 193.074716 145.6
[M]+ 172.09950142 135.7
[M]- 172.10059858 135.7
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