CID 2756037

161468-45-7

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-9-7-5-4-6-8(9)13-10(14)15/h4-7H,1-3H3,(H,13,15)
InChIKey
GMUWCTKADZFKLT-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

234.10045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.7
[M+Na]+ 257.089668 162.3
[M-H]- 233.093174 153.4
[M+NH4]+ 252.134273 169.7
[M+K]+ 273.063608 159.1
[M+H-H2O]+ 217.097710 145.5
[M+HCOO]- 279.098651 171.6
[M+CH3COO]- 293.114301 186.3
[M+Na-2H]- 255.075116 157.7
[M]+ 234.09990142 155.1
[M]- 234.10099858 155.1
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