CID 66205259

{[1-(3-bromophenyl)-1h-1,2,3-triazol-4-yl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula
C10H11BrN4
SMILES
CNCC1=CN(N=N1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrN4/c1-12-6-9-7-15(14-13-9)10-4-2-3-8(11)5-10/h2-5,7,12H,6H2,1H3
InChIKey
YFTYMDVDQBRURR-UHFFFAOYSA-N
Compound name
1-[1-(3-bromophenyl)triazol-4-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.01672 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02400 148.4
[M+Na]+ 289.00594 160.7
[M-H]- 265.00944 154.3
[M+NH4]+ 284.05054 166.4
[M+K]+ 304.97988 148.9
[M+H-H2O]+ 249.01398 145.9
[M+HCOO]- 311.01492 169.7
[M+CH3COO]- 325.03057 162.8
[M+Na-2H]- 286.99139 156.1
[M]+ 266.01617 167.2
[M]- 266.01727 167.2
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.