CID 1711921

1719-76-2

Structural Information

Molecular Formula

C₄H₁₀N₂S

SMILES

CC(C)NC(=S)N

InChI

InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

InChIKey

POXAIQSXNOEQGM-UHFFFAOYSA-N

Compound name

propan-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 666
Patents: 118.05647 Da
Monoisotopic Mass: 0.4
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	124.7
[M+Na]+	141.04569	132.4
[M+NH4]+	136.09029	132.9
[M+K]+	157.01963	126.5
[M-H]-	117.04919	125.1
[M+Na-2H]-	139.03114	127.4
[M]+	118.05592	126.0
[M]-	118.05702	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe