CID 853362

Isobutylthiourea

Structural Information

Molecular Formula

C₅H₁₂N₂S

SMILES

CC(C)CNC(=S)N

InChI

InChI=1S/C5H12N2S/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)

InChIKey

RGTMILHZLXZRGF-UHFFFAOYSA-N

Compound name

2-methylpropylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 132.07211 Da
Monoisotopic Mass: 0.9
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]+	133.07939	129.0
[M+Na]+	155.06133	136.4
[M+NH4]+	150.10593	137.0
[M+K]+	171.03527	130.3
[M-H]-	131.06483	129.4
[M+Na-2H]-	153.04678	131.4
[M]+	132.07156	130.2
[M]-	132.07266	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe