CID 53435816

5h-tetrazole, 5-azido-

Structural Information

Molecular Formula

SMILES

C1(N=NN=N1)N=[N+]=[N-]

InChI

InChI=1S/CHN7/c2-6-3-1-4-7-8-5-1/h1H

InChIKey

FCJCEULOGKECGZ-UHFFFAOYSA-N

Compound name

5-azido-5H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 111.02934 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	112.03662	113.0
[M+Na]+	134.01856	122.3
[M-H]-	110.02206	114.8
[M+NH4]+	129.06316	132.0
[M+K]+	149.99250	118.2
[M+H-H2O]+	94.026600	108.3
[M+HCOO]-	156.02754	142.4
[M+CH3COO]-	170.04319	168.8
[M+Na-2H]-	132.00401	127.7
[M]+	111.02879	110.4
[M]-	111.02989	110.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe