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 147.8
[M+Na]+ 226.13146 158.9
[M-H]- 202.13496 150.5
[M+NH4]+ 221.17606 167.8
[M+K]+ 242.10540 155.1
[M+H-H2O]+ 186.13950 141.3
[M+HCOO]- 248.14044 169.7
[M+CH3COO]- 262.15609 190.2
[M+Na-2H]- 224.11691 153.9
[M]+ 203.14169 149.7
[M]- 203.14279 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.