CID 1900564

1207-94-9

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

COC1=CC=CC=C1NC(=S)NCC=C

InChI

InChI=1S/C11H14N2OS/c1-3-8-12-11(15)13-9-6-4-5-7-10(9)14-2/h3-7H,1,8H2,2H3,(H2,12,13,15)

InChIKey

OXFCBWYEQXGNIK-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-3-prop-2-enylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.08269 Da
Monoisotopic Mass: 2.1
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]+	223.08997	148.9
[M+Na]+	245.07191	155.1
[M-H]-	221.07541	152.4
[M+NH4]+	240.11651	167.2
[M+K]+	261.04585	151.1
[M+H-H2O]+	205.07995	142.1
[M+HCOO]-	267.08089	168.9
[M+CH3COO]-	281.09654	191.8
[M+Na-2H]-	243.05736	151.7
[M]+	222.08214	149.7
[M]-	222.08324	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe