CID 519126

2-propyltetrahydrothiophene

Structural Information

Molecular Formula

C₇H₁₄S

SMILES

CCCC1CCCS1

InChI

InChI=1S/C7H14S/c1-2-4-7-5-3-6-8-7/h7H,2-6H2,1H3

InChIKey

RKTPCTKFTDSWND-UHFFFAOYSA-N

Compound name

2-propylthiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 130.08162 Da
Monoisotopic Mass: 2.7
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]+	131.088896	128.2
[M+Na]+	153.070838	134.9
[M-H]-	129.074344	131.6
[M+NH4]+	148.115443	152.7
[M+K]+	169.044778	133.7
[M+H-H2O]+	113.078880	123.4
[M+HCOO]-	175.079821	146.0
[M+CH3COO]-	189.095471	170.4
[M+Na-2H]-	151.056286	129.6
[M]+	130.08107142	127.6
[M]-	130.08216858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe