CID 5875495

149139-41-3

Structural Information

Molecular Formula
C6H8N2O
SMILES
CN(C)/C=C(/C=O)\C#N
InChI
InChI=1S/C6H8N2O/c1-8(2)4-6(3-7)5-9/h4-5H,1-2H3/b6-4+
InChIKey
RRUXUDNMISMLAO-GQCTYLIASA-N
Compound name
(E)-3-(dimethylamino)-2-formylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

124.06366 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 125.6
[M+Na]+ 147.05288 134.2
[M-H]- 123.05638 127.8
[M+NH4]+ 142.09748 145.9
[M+K]+ 163.02682 134.7
[M+H-H2O]+ 107.06092 114.1
[M+HCOO]- 169.06186 146.9
[M+CH3COO]- 183.07751 189.8
[M+Na-2H]- 145.03833 130.7
[M]+ 124.06311 121.6
[M]- 124.06421 121.6
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