CID 43511407

1268991-10-1

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CNC1CCS(=O)(=O)CC1
InChI
InChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKey
GZCQKWYJTWFNEX-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxothian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

163.0667 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 129.9
[M+Na]+ 186.05592 136.8
[M-H]- 162.05942 133.4
[M+NH4]+ 181.10052 152.7
[M+K]+ 202.02986 135.2
[M+H-H2O]+ 146.06396 125.3
[M+HCOO]- 208.06490 147.4
[M+CH3COO]- 222.08055 175.1
[M+Na-2H]- 184.04137 134.6
[M]+ 163.06615 128.1
[M]- 163.06725 128.1
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

patents stripe