CID 53536960

3193-52-0

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CNCC1CCS(=O)(=O)C1
InChI
InChI=1S/C6H13NO2S/c1-7-4-6-2-3-10(8,9)5-6/h6-7H,2-5H2,1H3
InChIKey
QPPDIBMTQDIBKX-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

163.0667 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 130.9
[M+Na]+ 186.05592 139.0
[M-H]- 162.05942 134.8
[M+NH4]+ 181.10052 155.7
[M+K]+ 202.02986 137.4
[M+H-H2O]+ 146.06396 126.8
[M+HCOO]- 208.06490 150.6
[M+CH3COO]- 222.08055 174.8
[M+Na-2H]- 184.04137 134.3
[M]+ 163.06615 131.3
[M]- 163.06725 131.3
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