CID 3056600

73812-09-6

Structural Information

Molecular Formula

C₁₁H₁₇NOS

SMILES

CCCCCC(C1=CSC=C1)C(=O)N

InChI

InChI=1S/C11H17NOS/c1-2-3-4-5-10(11(12)13)9-6-7-14-8-9/h6-8,10H,2-5H2,1H3,(H2,12,13)

InChIKey

RMJPPSBVWFXIFV-UHFFFAOYSA-N

Compound name

2-thiophen-3-ylheptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.10309 Da
Monoisotopic Mass: 3.0
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]+	212.11037	150.8
[M+Na]+	234.09231	156.3
[M-H]-	210.09581	153.6
[M+NH4]+	229.13691	171.1
[M+K]+	250.06625	153.6
[M+H-H2O]+	194.10035	144.5
[M+HCOO]-	256.10129	168.7
[M+CH3COO]-	270.11694	188.2
[M+Na-2H]-	232.07776	149.2
[M]+	211.10254	152.0
[M]-	211.10364	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.