CID 67040628

943772-76-7

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)O
InChI
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-7-13-9-6-8(15)4-5-10(9)14/h4-7,15H,1-3H3
InChIKey
IMRCEURWFLWGPG-UHFFFAOYSA-N
Compound name
tert-butyl 5-hydroxybenzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.10045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.4
[M+Na]+ 257.089668 162.7
[M-H]- 233.093174 154.1
[M+NH4]+ 252.134273 170.4
[M+K]+ 273.063608 160.2
[M+H-H2O]+ 217.097710 146.1
[M+HCOO]- 279.098651 172.2
[M+CH3COO]- 293.114301 187.1
[M+Na-2H]- 255.075116 158.4
[M]+ 234.09990142 156.6
[M]- 234.10099858 156.6
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