CID 3069789

N-(4-bromophenyl)-1h-tetrazole-5-ethanamine

Structural Information

Molecular Formula
C9H10BrN5
SMILES
C1=CC(=CC=C1NCCC2=NNN=N2)Br
InChI
InChI=1S/C9H10BrN5/c10-7-1-3-8(4-2-7)11-6-5-9-12-14-15-13-9/h1-4,11H,5-6H2,(H,12,13,14,15)
InChIKey
LAIYEHPCEFQCDV-UHFFFAOYSA-N
Compound name
4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.01196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01924 157.0
[M+Na]+ 290.00118 159.9
[M+NH4]+ 285.04578 160.1
[M+K]+ 305.97512 161.0
[M-H]- 266.00468 156.9
[M+Na-2H]- 287.98663 160.9
[M]+ 267.01141 156.0
[M]- 267.01251 156.0
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.