CID 120987

1071-75-6

Structural Information

Molecular Formula

C₄H₁₀N₂S

SMILES

CCCSC(=N)N

InChI

InChI=1S/C4H10N2S/c1-2-3-7-4(5)6/h2-3H2,1H3,(H3,5,6)

InChIKey

JKHAGQZCIAFTOX-UHFFFAOYSA-N

Compound name

propyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 118.05647 Da
Monoisotopic Mass: 1.1
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]+	119.063746	123.3
[M+Na]+	141.045688	129.7
[M-H]-	117.049194	123.4
[M+NH4]+	136.090293	145.4
[M+K]+	157.019628	128.1
[M+H-H2O]+	101.053730	118.0
[M+HCOO]-	163.054671	142.5
[M+CH3COO]-	177.070321	173.2
[M+Na-2H]-	139.031136	126.1
[M]+	118.05592142	121.7
[M]-	118.05701858	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe