CID 62507026

2-tert-butyl-1-methyl-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(C)(C)C1=NC2=C(N1C)C=CC(=C2)N
InChI
InChI=1S/C12H17N3/c1-12(2,3)11-14-9-7-8(13)5-6-10(9)15(11)4/h5-7H,13H2,1-4H3
InChIKey
XOQQCDMIPDEXRQ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 145.9
[M+Na]+ 226.13146 158.9
[M+NH4]+ 221.17606 154.2
[M+K]+ 242.10540 154.7
[M-H]- 202.13496 147.6
[M+Na-2H]- 224.11691 152.0
[M]+ 203.14169 148.3
[M]- 203.14279 148.3
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

No patent data available for this compound.