CID 85638710

141037-05-0

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C=C)OC(=O)N1C=CN=C1
InChI
InChI=1S/C8H10N2O2/c1-3-7(2)12-8(11)10-5-4-9-6-10/h3-7H,1H2,2H3
InChIKey
MIGVSMIPNMLWRT-UHFFFAOYSA-N
Compound name
but-3-en-2-yl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

166.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 135.1
[M+Na]+ 189.06345 143.0
[M-H]- 165.06695 136.1
[M+NH4]+ 184.10805 154.6
[M+K]+ 205.03739 142.2
[M+H-H2O]+ 149.07149 128.0
[M+HCOO]- 211.07243 157.0
[M+CH3COO]- 225.08808 176.4
[M+Na-2H]- 187.04890 138.9
[M]+ 166.07368 136.4
[M]- 166.07478 136.4
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