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

89
Patents

135.0354 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 120.7
[M+Na]+ 158.02462 127.9
[M-H]- 134.02812 124.4
[M+NH4]+ 153.06922 139.5
[M+K]+ 173.99856 129.7
[M+H-H2O]+ 118.03266 112.6
[M+HCOO]- 180.03360 138.6
[M+CH3COO]- 194.04925 173.6
[M+Na-2H]- 156.01007 126.2
[M]+ 135.03485 129.6
[M]- 135.03595 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