CID 12689514

1414846-62-0

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC(=O)/C=C/C1=NC=CN1
InChI
InChI=1S/C7H8N2O/c1-6(10)2-3-7-8-4-5-9-7/h2-5H,1H3,(H,8,9)/b3-2+
InChIKey
UUYBPRADVKXGFI-NSCUHMNNSA-N
Compound name
(E)-4-(1H-imidazol-2-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 128.0
[M+Na]+ 159.052878 136.1
[M-H]- 135.056384 127.5
[M+NH4]+ 154.097483 148.0
[M+K]+ 175.026818 133.7
[M+H-H2O]+ 119.060920 121.3
[M+HCOO]- 181.061861 149.4
[M+CH3COO]- 195.077511 168.5
[M+Na-2H]- 157.038326 133.0
[M]+ 136.06311142 126.3
[M]- 136.06420858 126.3
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