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

111
Patents

234.10045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.7
[M+Na]+ 257.08967 162.3
[M-H]- 233.09317 153.4
[M+NH4]+ 252.13427 169.7
[M+K]+ 273.06361 159.1
[M+H-H2O]+ 217.09771 145.5
[M+HCOO]- 279.09865 171.6
[M+CH3COO]- 293.11430 186.3
[M+Na-2H]- 255.07512 157.7
[M]+ 234.09990 155.1
[M]- 234.10100 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