CID 23727755

(e)-but-2-en-1-yl 1h-imidazole-1-carboxylate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C/C=C/COC(=O)N1C=CN=C1
InChI
InChI=1S/C8H10N2O2/c1-2-3-6-12-8(11)10-5-4-9-7-10/h2-5,7H,6H2,1H3/b3-2+
InChIKey
JGNHUWISNXLDCV-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl] imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 135.1
[M+Na]+ 189.06345 143.3
[M-H]- 165.06695 136.0
[M+NH4]+ 184.10805 154.7
[M+K]+ 205.03739 142.1
[M+H-H2O]+ 149.07149 127.9
[M+HCOO]- 211.07243 158.0
[M+CH3COO]- 225.08808 174.8
[M+Na-2H]- 187.04890 140.1
[M]+ 166.07368 136.9
[M]- 166.07478 136.9
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.