CID 84717816

Methyl[(2-methyl-2h-1,2,3-benzotriazol-4-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C9H12N4
SMILES
CNCC1=CC=CC2=NN(N=C21)C
InChI
InChI=1S/C9H12N4/c1-10-6-7-4-3-5-8-9(7)12-13(2)11-8/h3-5,10H,6H2,1-2H3
InChIKey
OJHWRYZVGJZTNL-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-methylbenzotriazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.3
[M+Na]+ 199.095418 147.3
[M-H]- 175.098924 137.7
[M+NH4]+ 194.140023 155.7
[M+K]+ 215.069358 144.0
[M+H-H2O]+ 159.103460 128.3
[M+HCOO]- 221.104401 160.1
[M+CH3COO]- 235.120051 150.1
[M+Na-2H]- 197.080866 145.1
[M]+ 176.10565142 138.9
[M]- 176.10674858 138.9
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.