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

34
Patents

172.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 142.1
[M+Na]+ 195.08927 150.3
[M-H]- 171.09277 146.2
[M+NH4]+ 190.13387 160.5
[M+K]+ 211.06321 147.8
[M+H-H2O]+ 155.09731 129.1
[M+HCOO]- 217.09825 162.9
[M+CH3COO]- 231.11390 198.0
[M+Na-2H]- 193.07472 146.9
[M]+ 172.09950 136.7
[M]- 172.10060 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