CID 137963821

2225147-06-6

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CC1(C(CS1(=O)=O)NC)C
InChI
InChI=1S/C6H13NO2S/c1-6(2)5(7-3)4-10(6,8)9/h5,7H,4H2,1-3H3
InChIKey
YEEZGEUIIRHBOQ-UHFFFAOYSA-N
Compound name
N,2,2-trimethyl-1,1-dioxothietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 127.4
[M+Na]+ 186.05592 134.6
[M-H]- 162.05942 131.6
[M+NH4]+ 181.10052 145.7
[M+K]+ 202.02986 136.3
[M+H-H2O]+ 146.06396 119.2
[M+HCOO]- 208.06490 145.2
[M+CH3COO]- 222.08055 181.2
[M+Na-2H]- 184.04137 132.4
[M]+ 163.06615 138.3
[M]- 163.06725 138.3
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

No patent data available for this compound.