CID 85723

1-hydrazino-3-(methylthio)propan-2-ol

Structural Information

Molecular Formula

C₄H₁₂N₂OS

SMILES

CSCC(CNN)O

InChI

InChI=1S/C4H12N2OS/c1-8-3-4(7)2-6-5/h4,6-7H,2-3,5H2,1H3

InChIKey

UQVUGWOKYIMFCM-UHFFFAOYSA-N

Compound name

1-hydrazinyl-3-methylsulfanylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 136.06703 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]+	137.07431	127.4
[M+Na]+	159.05625	132.8
[M-H]-	135.05975	125.8
[M+NH4]+	154.10085	147.9
[M+K]+	175.03019	131.2
[M+H-H2O]+	119.06429	121.9
[M+HCOO]-	181.06523	145.1
[M+CH3COO]-	195.08088	174.2
[M+Na-2H]-	157.04170	129.7
[M]+	136.06648	126.0
[M]-	136.06758	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe