CID 82373893

1368217-81-5

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC1=CN=C(N1)C=O
InChI
InChI=1S/C6H8N2O/c1-2-5-3-7-6(4-9)8-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey
BYFFEYKNQDHJJS-UHFFFAOYSA-N
Compound name
5-ethyl-1H-imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

124.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.3
[M+Na]+ 147.05288 132.8
[M-H]- 123.05638 123.3
[M+NH4]+ 142.09748 144.3
[M+K]+ 163.02682 130.8
[M+H-H2O]+ 107.06092 117.0
[M+HCOO]- 169.06186 145.9
[M+CH3COO]- 183.07751 167.3
[M+Na-2H]- 145.03833 129.5
[M]+ 124.06311 123.1
[M]- 124.06421 123.1
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