CID 12368414

64572-97-0

Structural Information

Molecular Formula

C₈H₁₁N₃O₃S

SMILES

CCOC(=O)NC1=NC(=NS1)CC(=O)C

InChI

InChI=1S/C8H11N3O3S/c1-3-14-8(13)10-7-9-6(11-15-7)4-5(2)12/h3-4H2,1-2H3,(H,9,10,11,13)

InChIKey

IUVDQDQTWJUTPT-UHFFFAOYSA-N

Compound name

ethyl N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.05211 Da
Monoisotopic Mass: 0.7
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]+	230.05939	150.8
[M+Na]+	252.04133	158.8
[M+NH4]+	247.08593	156.3
[M+K]+	268.01527	155.3
[M-H]-	228.04483	149.5
[M+Na-2H]-	250.02678	153.1
[M]+	229.05156	151.5
[M]-	229.05266	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe