CID 216951

37915-00-7

Structural Information

Molecular Formula

C₆H₁₃N₃S

SMILES

C1CSC(=N1)NCCCN

InChI

InChI=1S/C6H13N3S/c7-2-1-3-8-6-9-4-5-10-6/h1-5,7H2,(H,8,9)

InChIKey

DESZXNVKMQWOJF-UHFFFAOYSA-N

Compound name

N'-(4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.08302 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]+	160.09030	132.7
[M+Na]+	182.07224	140.5
[M+NH4]+	177.11684	141.2
[M+K]+	198.04618	134.9
[M-H]-	158.07574	134.6
[M+Na-2H]-	180.05769	136.9
[M]+	159.08247	134.4
[M]-	159.08357	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.