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

14
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 134.8
[M+Na]+ 189.06345 143.0
[M-H]- 165.06695 135.6
[M+NH4]+ 184.10805 154.4
[M+K]+ 205.03739 141.8
[M+H-H2O]+ 149.07149 127.6
[M+HCOO]- 211.07243 157.7
[M+CH3COO]- 225.08808 175.5
[M+Na-2H]- 187.04890 139.9
[M]+ 166.07368 136.7
[M]- 166.07478 136.7
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