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

15
Patents

210.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 145.7
[M+Na]+ 233.08967 155.2
[M-H]- 209.09317 147.4
[M+NH4]+ 228.13427 164.2
[M+K]+ 249.06361 154.4
[M+H-H2O]+ 193.09771 139.5
[M+HCOO]- 255.09865 166.6
[M+CH3COO]- 269.11430 186.2
[M+Na-2H]- 231.07512 149.4
[M]+ 210.09990 150.1
[M]- 210.10100 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