CID 2306685

15777-49-8

Structural Information

Molecular Formula

C₉H₁₄ClN₃OS

SMILES

CCCCCC1=NN=C(S1)NC(=O)CCl

InChI

InChI=1S/C9H14ClN3OS/c1-2-3-4-5-8-12-13-9(15-8)11-7(14)6-10/h2-6H2,1H3,(H,11,13,14)

InChIKey

RDVDUFOQEMNCNF-UHFFFAOYSA-N

Compound name

2-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.05461 Da
Monoisotopic Mass: 2.8
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]+	248.061886	153.6
[M+Na]+	270.043828	162.0
[M-H]-	246.047334	154.7
[M+NH4]+	265.088433	171.4
[M+K]+	286.017768	157.7
[M+H-H2O]+	230.051870	146.8
[M+HCOO]-	292.052811	166.8
[M+CH3COO]-	306.068461	191.5
[M+Na-2H]-	268.029276	154.0
[M]+	247.05406142	158.7
[M]-	247.05515858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.