CID 1810735

6926-54-1

Structural Information

Molecular Formula

C₄H₁₁N₃OS

SMILES

COCCNC(=S)NN

InChI

InChI=1S/C4H11N3OS/c1-8-3-2-6-4(9)7-5/h2-3,5H2,1H3,(H2,6,7,9)

InChIKey

CFDHTKSXLMMHIO-UHFFFAOYSA-N

Compound name

1-amino-3-(2-methoxyethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 149.06229 Da
Monoisotopic Mass: -0.9
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]+	150.06957	130.5
[M+Na]+	172.05151	136.7
[M+NH4]+	167.09611	137.6
[M+K]+	188.02545	131.0
[M-H]-	148.05501	130.7
[M+Na-2H]-	170.03696	132.8
[M]+	149.06174	131.3
[M]-	149.06284	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe