CID 84075997

2-thiaspiro[3.3]heptan-6-ol

Structural Information

Molecular Formula

SMILES

C1C(CC12CSC2)O

InChI

InChI=1S/C6H10OS/c7-5-1-6(2-5)3-8-4-6/h5,7H,1-4H2

InChIKey

SPUDVYMESPGEQM-UHFFFAOYSA-N

Compound name

2-thiaspiro[3.3]heptan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.04524 Da
Monoisotopic Mass: 0.6
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]+	131.052516	111.1
[M+Na]+	153.034458	114.9
[M-H]-	129.037964	115.2
[M+NH4]+	148.079063	121.3
[M+K]+	169.008398	119.0
[M+H-H2O]+	113.042500	98.0
[M+HCOO]-	175.043441	124.3
[M+CH3COO]-	189.059091	180.7
[M+Na-2H]-	151.019906	116.1
[M]+	130.04469142	125.8
[M]-	130.04578858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.