CID 59393579

2225141-46-6

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CC1(CS(=O)(=O)C1)N
InChI
InChI=1S/C4H9NO2S/c1-4(5)2-8(6,7)3-4/h2-3,5H2,1H3
InChIKey
PMKPNGBRDFIFNX-UHFFFAOYSA-N
Compound name
3-methyl-1,1-dioxothietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

135.0354 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 120.7
[M+Na]+ 158.024618 127.9
[M-H]- 134.028124 124.4
[M+NH4]+ 153.069223 139.5
[M+K]+ 173.998558 129.7
[M+H-H2O]+ 118.032660 112.6
[M+HCOO]- 180.033601 138.6
[M+CH3COO]- 194.049251 173.6
[M+Na-2H]- 156.010066 126.2
[M]+ 135.03485142 129.6
[M]- 135.03594858 129.6
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

patents stripe