CID 22669357

2-cyclopropanecarbonyl-1h-imidazole

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC1C(=O)C2=NC=CN2
InChI
InChI=1S/C7H8N2O/c10-6(5-1-2-5)7-8-3-4-9-7/h3-5H,1-2H2,(H,8,9)
InChIKey
NEXBJFQNNCZHNU-UHFFFAOYSA-N
Compound name
cyclopropyl(1H-imidazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

136.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 131.3
[M+Na]+ 159.05288 143.5
[M+NH4]+ 154.09748 139.5
[M+K]+ 175.02682 141.4
[M-H]- 135.05638 138.9
[M+Na-2H]- 157.03833 139.6
[M]+ 136.06311 136.0
[M]- 136.06421 136.0
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