CID 11629781

120277-50-1

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)(C)OC(=O)N1C=C(N=C1)CO
InChI
InChI=1S/C9H14N2O3/c1-9(2,3)14-8(13)11-4-7(5-12)10-6-11/h4,6,12H,5H2,1-3H3
InChIKey
BQPGKWMFPIWAGE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

198.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 144.3
[M+Na]+ 221.089668 152.6
[M-H]- 197.093174 144.4
[M+NH4]+ 216.134273 162.5
[M+K]+ 237.063608 151.8
[M+H-H2O]+ 181.097710 138.1
[M+HCOO]- 243.098651 163.8
[M+CH3COO]- 257.114301 179.6
[M+Na-2H]- 219.075116 148.6
[M]+ 198.09990142 146.7
[M]- 198.10099858 146.7
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