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 146.5
[M+Na]+ 290.00118 157.9
[M-H]- 266.00468 149.7
[M+NH4]+ 285.04578 162.3
[M+K]+ 305.97512 145.4
[M+H-H2O]+ 250.00922 143.6
[M+HCOO]- 312.01016 165.5
[M+CH3COO]- 326.02581 159.7
[M+Na-2H]- 287.98663 155.2
[M]+ 267.01141 163.4
[M]- 267.01251 163.4
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.