CID 3053437

Usaf el-55

Structural Information

Molecular Formula

C₇H₁₃N₃S

SMILES

CN(C)CCN1C=CNC1=S

InChI

InChI=1S/C7H13N3S/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11)

InChIKey

VGXANULMFYRRBH-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.08302 Da
Monoisotopic Mass: 0.0
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]+	172.09030	135.6
[M+Na]+	194.07224	144.5
[M-H]-	170.07574	137.2
[M+NH4]+	189.11684	155.9
[M+K]+	210.04618	142.1
[M+H-H2O]+	154.08028	128.8
[M+HCOO]-	216.08122	153.9
[M+CH3COO]-	230.09687	180.5
[M+Na-2H]-	192.05769	137.4
[M]+	171.08247	137.2
[M]-	171.08357	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe