CID 9574736

[(z)-decylideneamino]thiourea

Structural Information

Molecular Formula

C₁₁H₂₃N₃S

SMILES

CCCCCCCCC/C=N\NC(=S)N

InChI

InChI=1S/C11H23N3S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15/h10H,2-9H2,1H3,(H3,12,14,15)/b13-10-

InChIKey

MUOXLVVSOZFOSM-RAXLEYEMSA-N

Compound name

[(Z)-decylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.16127 Da
Monoisotopic Mass: 3.6
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]+	230.16855	155.8
[M+Na]+	252.15049	159.1
[M-H]-	228.15399	155.9
[M+NH4]+	247.19509	173.8
[M+K]+	268.12443	155.9
[M+H-H2O]+	212.15853	148.4
[M+HCOO]-	274.15947	175.4
[M+CH3COO]-	288.17512	200.4
[M+Na-2H]-	250.13594	156.0
[M]+	229.16072	157.0
[M]-	229.16182	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.