CID 3034598

N-allyl-n'-ethylthiourea

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

CCNC(=S)NCC=C

InChI

InChI=1S/C6H12N2S/c1-3-5-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)

InChIKey

MMNIUSWSBKDYQT-UHFFFAOYSA-N

Compound name

1-ethyl-3-prop-2-enylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 144.07211 Da
Monoisotopic Mass: 1.0
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]+	145.07939	132.6
[M+Na]+	167.06133	140.6
[M+NH4]+	162.10593	140.5
[M+K]+	183.03527	133.1
[M-H]-	143.06483	133.1
[M+Na-2H]-	165.04678	135.5
[M]+	144.07156	134.0
[M]-	144.07266	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe