CID 131436610

2378503-71-8

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1C(CC1=O)N2C=CN=C2
InChI
InChI=1S/C7H8N2O/c10-7-3-6(4-7)9-2-1-8-5-9/h1-2,5-6H,3-4H2
InChIKey
GUCVWASDAQSYSZ-UHFFFAOYSA-N
Compound name
3-imidazol-1-ylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 120.9
[M+Na]+ 159.052878 128.6
[M-H]- 135.056384 125.1
[M+NH4]+ 154.097483 135.3
[M+K]+ 175.026818 130.2
[M+H-H2O]+ 119.060920 109.2
[M+HCOO]- 181.061861 143.0
[M+CH3COO]- 195.077511 174.9
[M+Na-2H]- 157.038326 126.9
[M]+ 136.06311142 128.8
[M]- 136.06420858 128.8
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

No patent data available for this compound.