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]+ 164.073976 127.4
[M+Na]+ 186.055918 134.6
[M-H]- 162.059424 131.6
[M+NH4]+ 181.100523 145.7
[M+K]+ 202.029858 136.3
[M+H-H2O]+ 146.063960 119.2
[M+HCOO]- 208.064901 145.2
[M+CH3COO]- 222.080551 181.2
[M+Na-2H]- 184.041366 132.4
[M]+ 163.06615142 138.3
[M]- 163.06724858 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.