CID 200359

1596-46-9

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC(CC1CCS(=O)(=O)C1)N
InChI
InChI=1S/C7H15NO2S/c1-6(8)4-7-2-3-11(9,10)5-7/h6-7H,2-5,8H2,1H3
InChIKey
HROMHEAJLGGLLX-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 136.5
[M+Na]+ 200.07157 143.8
[M-H]- 176.07507 139.6
[M+NH4]+ 195.11617 160.3
[M+K]+ 216.04551 142.0
[M+H-H2O]+ 160.07961 132.3
[M+HCOO]- 222.08055 154.1
[M+CH3COO]- 236.09620 178.0
[M+Na-2H]- 198.05702 137.2
[M]+ 177.08180 135.6
[M]- 177.08290 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.