CID 23385833

But-3-en-1-yl 1h-imidazole-1-carboxylate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C=CCCOC(=O)N1C=CN=C1
InChI
InChI=1S/C8H10N2O2/c1-2-3-6-12-8(11)10-5-4-9-7-10/h2,4-5,7H,1,3,6H2
InChIKey
BNGLJMQCDKTXTL-UHFFFAOYSA-N
Compound name
but-3-enyl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 136.3
[M+Na]+ 189.06345 146.7
[M+NH4]+ 184.10805 142.8
[M+K]+ 205.03739 143.3
[M-H]- 165.06695 135.2
[M+Na-2H]- 187.04890 140.8
[M]+ 166.07368 137.1
[M]- 166.07478 137.1
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