CID 14355311

132815-74-8

Structural Information

Molecular Formula
C3H7NO2S
SMILES
CC1CNS1(=O)=O
InChI
InChI=1S/C3H7NO2S/c1-3-2-4-7(3,5)6/h3-4H,2H2,1H3
InChIKey
RAQFOMIAINOIET-UHFFFAOYSA-N
Compound name
4-methylthiazetidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.01975 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.02703 115.5
[M+Na]+ 144.00897 123.2
[M-H]- 120.01247 117.0
[M+NH4]+ 139.05357 131.7
[M+K]+ 159.98291 124.6
[M+H-H2O]+ 104.01701 106.2
[M+HCOO]- 166.01795 131.0
[M+CH3COO]- 180.03360 166.8
[M+Na-2H]- 141.99442 120.3
[M]+ 121.01920 124.1
[M]- 121.02030 124.1
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.