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: 2
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]+	160.090296	131.7
[M+Na]+	182.072238	138.1
[M-H]-	158.075744	133.3
[M+NH4]+	177.116843	152.7
[M+K]+	198.046178	135.9
[M+H-H2O]+	142.080280	124.9
[M+HCOO]-	204.081221	151.3
[M+CH3COO]-	218.096871	177.6
[M+Na-2H]-	180.057686	134.6
[M]+	159.08247142	130.0
[M]-	159.08356858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe