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]+ 122.027026 115.5
[M+Na]+ 144.008968 123.2
[M-H]- 120.012474 117.0
[M+NH4]+ 139.053573 131.7
[M+K]+ 159.982908 124.6
[M+H-H2O]+ 104.017010 106.2
[M+HCOO]- 166.017951 131.0
[M+CH3COO]- 180.033601 166.8
[M+Na-2H]- 141.994416 120.3
[M]+ 121.01920142 124.1
[M]- 121.02029858 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.