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]+ 204.149516 147.8
[M+Na]+ 226.131458 158.9
[M-H]- 202.134964 150.5
[M+NH4]+ 221.176063 167.8
[M+K]+ 242.105398 155.1
[M+H-H2O]+ 186.139500 141.3
[M+HCOO]- 248.140441 169.7
[M+CH3COO]- 262.156091 190.2
[M+Na-2H]- 224.116906 153.9
[M]+ 203.14169142 149.7
[M]- 203.14278858 149.7
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.