CID 5381008

[(e)-hexylideneamino]thiourea

Structural Information

Molecular Formula

C₇H₁₅N₃S

SMILES

CCCCC/C=N/NC(=S)N

InChI

InChI=1S/C7H15N3S/c1-2-3-4-5-6-9-10-7(8)11/h6H,2-5H2,1H3,(H3,8,10,11)/b9-6+

InChIKey

HBFINPJRJWIHIF-RMKNXTFCSA-N

Compound name

[(E)-hexylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 173.09866 Da
Monoisotopic Mass: 1.5
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]+	174.10594	138.7
[M+Na]+	196.08788	143.7
[M-H]-	172.09138	139.5
[M+NH4]+	191.13248	158.9
[M+K]+	212.06182	141.5
[M+H-H2O]+	156.09592	132.0
[M+HCOO]-	218.09686	159.5
[M+CH3COO]-	232.11251	188.3
[M+Na-2H]-	194.07333	140.8
[M]+	173.09811	138.4
[M]-	173.09921	138.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.