CID 68128658

62754-23-8

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)(C)OC(=O)C1=CC2=C(C=C1)N=C(N2)N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-10(16)7-4-5-8-9(6-7)15-11(13)14-8/h4-6H,1-3H3,(H3,13,14,15)
InChIKey
SXEIINBWQHDSBT-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.6
[M+Na]+ 256.10564 162.4
[M+NH4]+ 251.15024 158.0
[M+K]+ 272.07958 160.2
[M-H]- 232.10914 151.2
[M+Na-2H]- 254.09109 155.9
[M]+ 233.11587 152.8
[M]- 233.11697 152.8
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