CID 15867047

293733-40-1

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC(C)(C)OC(=O)C1=CN=C(N1C)C=O
InChI
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)7-5-11-8(6-13)12(7)4/h5-6H,1-4H3
InChIKey
VFAJCZHBOJFVTO-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-3-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

210.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 145.7
[M+Na]+ 233.089668 155.2
[M-H]- 209.093174 147.4
[M+NH4]+ 228.134273 164.2
[M+K]+ 249.063608 154.4
[M+H-H2O]+ 193.097710 139.5
[M+HCOO]- 255.098651 166.6
[M+CH3COO]- 269.114301 186.2
[M+Na-2H]- 231.075116 149.4
[M]+ 210.09990142 150.1
[M]- 210.10099858 150.1
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