CID 170164213

3017271-62-1

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1C(CC12CS(=O)(=O)C2)CN

InChI

InChI=1S/C7H13NO2S/c8-3-6-1-7(2-6)4-11(9,10)5-7/h6H,1-5,8H2

InChIKey

GGHGGNYGATWPOT-UHFFFAOYSA-N

Compound name

(2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.0667 Da
Monoisotopic Mass: -0.7
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]+	176.073976	126.5
[M+Na]+	198.055918	130.3
[M-H]-	174.059424	131.1
[M+NH4]+	193.100523	136.5
[M+K]+	214.029858	134.0
[M+H-H2O]+	158.063960	113.3
[M+HCOO]-	220.064901	140.7
[M+CH3COO]-	234.080551	190.3
[M+Na-2H]-	196.041366	130.6
[M]+	175.06615142	141.9
[M]-	175.06724858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe