CID 492069

406951-05-1

Structural Information

Molecular Formula
C4H7NO4S
SMILES
CS(=O)(=O)N[C@H]1COC1=O
InChI
InChI=1S/C4H7NO4S/c1-10(7,8)5-3-2-9-4(3)6/h3,5H,2H2,1H3/t3-/m0/s1
InChIKey
HONREDVMINESMG-VKHMYHEASA-N
Compound name
N-[(3S)-2-oxooxetan-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

165.00958 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.01686 123.0
[M+Na]+ 187.99880 128.8
[M-H]- 164.00230 127.3
[M+NH4]+ 183.04340 135.6
[M+K]+ 203.97274 132.5
[M+H-H2O]+ 148.00684 112.0
[M+HCOO]- 210.00778 140.1
[M+CH3COO]- 224.02343 178.3
[M+Na-2H]- 185.98425 128.8
[M]+ 165.00903 134.1
[M]- 165.01013 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.