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

48
Patents

198.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 144.3
[M+Na]+ 221.08967 152.6
[M-H]- 197.09317 144.4
[M+NH4]+ 216.13427 162.5
[M+K]+ 237.06361 151.8
[M+H-H2O]+ 181.09771 138.1
[M+HCOO]- 243.09865 163.8
[M+CH3COO]- 257.11430 179.6
[M+Na-2H]- 219.07512 148.6
[M]+ 198.09990 146.7
[M]- 198.10100 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