CID 22100709

943772-77-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=C(C=C2)O

InChI

InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-7-13-9-5-4-8(15)6-10(9)14/h4-7,15H,1-3H3

InChIKey

RSDVPMNYCRZLCN-UHFFFAOYSA-N

Compound name

tert-butyl 6-hydroxybenzimidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 234.10045 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.10773	152.4
[M+Na]+	257.08967	162.7
[M-H]-	233.09317	154.1
[M+NH4]+	252.13427	170.4
[M+K]+	273.06361	160.2
[M+H-H2O]+	217.09771	146.1
[M+HCOO]-	279.09865	172.2
[M+CH3COO]-	293.11430	187.1
[M+Na-2H]-	255.07512	158.4
[M]+	234.09990	156.6
[M]-	234.10100	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe