CID 193545

19639-03-3

Structural Information

Molecular Formula
C6H8N2O
SMILES
CN1C=C(N=C1)CC=O
InChI
InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3
InChIKey
GCQHUBANENYTLB-UHFFFAOYSA-N
Compound name
2-(1-methylimidazol-4-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

20
Patents

124.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 124.1
[M+Na]+ 147.05288 136.1
[M+NH4]+ 142.09748 131.9
[M+K]+ 163.02682 132.1
[M-H]- 123.05638 124.2
[M+Na-2H]- 145.03833 129.9
[M]+ 124.06311 125.6
[M]- 124.06421 125.6
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