CID 56999638

4-(propan-2-yl)-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC(C)C1=CN=C(N1)C=O
InChI
InChI=1S/C7H10N2O/c1-5(2)6-3-8-7(4-10)9-6/h3-5H,1-2H3,(H,8,9)
InChIKey
AVBMVVGAPHOELS-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

138.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 129.2
[M+Na]+ 161.06854 140.1
[M+NH4]+ 156.11314 136.4
[M+K]+ 177.04248 137.0
[M-H]- 137.07204 128.5
[M+Na-2H]- 159.05399 133.8
[M]+ 138.07877 130.2
[M]- 138.07987 130.2
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