CID 3017906

69049-03-2

Structural Information

Molecular Formula

C₅H₉ClN₄O

SMILES

CCN1C(=O)N(N=N1)CCCl

InChI

InChI=1S/C5H9ClN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3

InChIKey

CKOJGMKAXXTOLV-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-4-ethyltetrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 176.0465 Da
Monoisotopic Mass: 1.2
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]+	177.05378	133.5
[M+Na]+	199.03572	146.2
[M+NH4]+	194.08032	139.9
[M+K]+	215.00966	142.4
[M-H]-	175.03922	131.9
[M+Na-2H]-	197.02117	138.4
[M]+	176.04595	134.8
[M]-	176.04705	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe