CID 737509

(2z)-3-(dimethylamino)-2-phenylprop-2-enenitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
CN(C)/C=C(\C#N)/C1=CC=CC=C1
InChI
InChI=1S/C11H12N2/c1-13(2)9-11(8-12)10-6-4-3-5-7-10/h3-7,9H,1-2H3/b11-9+
InChIKey
VDKZGONUAHUVJF-PKNBQFBNSA-N
Compound name
(Z)-3-(dimethylamino)-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

172.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 142.1
[M+Na]+ 195.089268 150.3
[M-H]- 171.092774 146.2
[M+NH4]+ 190.133873 160.5
[M+K]+ 211.063208 147.8
[M+H-H2O]+ 155.097310 129.1
[M+HCOO]- 217.098251 162.9
[M+CH3COO]- 231.113901 198.0
[M+Na-2H]- 193.074716 146.9
[M]+ 172.09950142 136.7
[M]- 172.10059858 136.7
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