CID 100270

1h-tetrazole, 1-ethyl-5-phenyl-

Structural Information

Molecular Formula

C₉H₁₀N₄

SMILES

CCN1C(=NN=N1)C2=CC=CC=C2

InChI

InChI=1S/C9H10N4/c1-2-13-9(10-11-12-13)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

XBDIFKZMUYFXBN-UHFFFAOYSA-N

Compound name

1-ethyl-5-phenyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 174.09055 Da
Monoisotopic Mass: 1.5
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]+	175.09783	136.7
[M+Na]+	197.07977	151.1
[M+NH4]+	192.12437	144.5
[M+K]+	213.05371	146.1
[M-H]-	173.08327	138.5
[M+Na-2H]-	195.06522	145.8
[M]+	174.09000	139.2
[M]-	174.09110	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe