CID 2779938

Trimethylthiourea

Structural Information

Molecular Formula

C₄H₁₀N₂S

SMILES

CNC(=S)N(C)C

InChI

InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)

InChIKey

JAEZSIYNWDWMMN-UHFFFAOYSA-N

Compound name

1,1,3-trimethylthiourea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 7598
Patents: 118.05647 Da
Monoisotopic Mass: 0.1
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]+	119.06375	123.6
[M+Na]+	141.04569	130.2
[M-H]-	117.04919	125.8
[M+NH4]+	136.09029	146.7
[M+K]+	157.01963	130.4
[M+H-H2O]+	101.05373	118.1
[M+HCOO]-	163.05467	143.8
[M+CH3COO]-	177.07032	176.7
[M+Na-2H]-	139.03114	126.6
[M]+	118.05592	124.2
[M]-	118.05702	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe