CID 15288152

152922-73-1

Structural Information

Molecular Formula

C₇H₁₂O₂S

SMILES

COC(=O)CC1(CC1)CS

InChI

InChI=1S/C7H12O2S/c1-9-6(8)4-7(5-10)2-3-7/h10H,2-5H2,1H3

InChIKey

JRHLVNAWLWIHDN-UHFFFAOYSA-N

Compound name

methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 160.0558 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]+	161.06308	137.2
[M+Na]+	183.04502	148.4
[M+NH4]+	178.08962	147.5
[M+K]+	199.01896	141.1
[M-H]-	159.04852	144.8
[M+Na-2H]-	181.03047	145.0
[M]+	160.05525	142.5
[M]-	160.05635	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe