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

14
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 130.4
[M+Na]+ 159.05288 140.2
[M-H]- 135.05638 134.1
[M+NH4]+ 154.09748 145.5
[M+K]+ 175.02682 136.7
[M+H-H2O]+ 119.06092 123.1
[M+HCOO]- 181.06186 152.2
[M+CH3COO]- 195.07751 172.5
[M+Na-2H]- 157.03833 135.6
[M]+ 136.06311 130.6
[M]- 136.06421 130.6
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