CID 2822867

883007-27-0

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN(C)/C=C(\C#N)/C(=O)C1CC1
InChI
InChI=1S/C9H12N2O/c1-11(2)6-8(5-10)9(12)7-3-4-7/h6-7H,3-4H2,1-2H3/b8-6+
InChIKey
IPHVCQSSBNWGDR-SOFGYWHQSA-N
Compound name
(E)-2-(cyclopropanecarbonyl)-3-(dimethylamino)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.9
[M+Na]+ 187.084178 148.1
[M-H]- 163.087684 142.1
[M+NH4]+ 182.128783 151.0
[M+K]+ 203.058118 143.8
[M+H-H2O]+ 147.092220 124.9
[M+HCOO]- 209.093161 156.5
[M+CH3COO]- 223.108811 199.8
[M+Na-2H]- 185.069626 139.7
[M]+ 164.09441142 134.3
[M]- 164.09550858 134.3
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

No patent data available for this compound.