CID 3067952

82520-91-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

C=COCCNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C11H14N2OS/c1-2-14-9-8-12-11(15)13-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,15)

InChIKey

DQNMYXFLSBXPAY-UHFFFAOYSA-N

Compound name

1-(2-ethenoxyethyl)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 222.08269 Da
Monoisotopic Mass: 1.7
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]+	223.089966	148.9
[M+Na]+	245.071908	154.3
[M-H]-	221.075414	152.1
[M+NH4]+	240.116513	167.0
[M+K]+	261.045848	150.3
[M+H-H2O]+	205.079950	141.9
[M+HCOO]-	267.080891	169.0
[M+CH3COO]-	281.096541	190.7
[M+Na-2H]-	243.057356	152.5
[M]+	222.08214142	149.3
[M]-	222.08323858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe