CID 3017268

61607-68-9

Structural Information

Molecular Formula

C₅H₁₁N₅S

SMILES

CN(C)CCN1C(=S)N=NN1

InChI

InChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)

InChIKey

ODDAWJGQWOGBCX-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethyl]-2H-tetrazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1269
Patents: 173.07352 Da
Monoisotopic Mass: 1.3
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]+	174.08080	135.1
[M+Na]+	196.06274	145.1
[M-H]-	172.06624	134.3
[M+NH4]+	191.10734	152.6
[M+K]+	212.03668	142.8
[M+H-H2O]+	156.07078	127.3
[M+HCOO]-	218.07172	151.5
[M+CH3COO]-	232.08737	180.4
[M+Na-2H]-	194.04819	137.6
[M]+	173.07297	136.9
[M]-	173.07407	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe