CID 137346593

2225142-34-5

Structural Information

Molecular Formula
C3H9NO2S
SMILES
CS(=N)(=O)CCO
InChI
InChI=1S/C3H9NO2S/c1-7(4,6)3-2-5/h4-5H,2-3H2,1H3
InChIKey
LCILZVHDLJKALZ-UHFFFAOYSA-N
Compound name
2-(methylsulfonimidoyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

123.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.04268 121.7
[M+Na]+ 146.02462 129.6
[M-H]- 122.02812 121.2
[M+NH4]+ 141.06922 143.5
[M+K]+ 161.99856 127.8
[M+H-H2O]+ 106.03266 117.5
[M+HCOO]- 168.03360 139.6
[M+CH3COO]- 182.04925 166.6
[M+Na-2H]- 144.01007 127.0
[M]+ 123.03485 122.0
[M]- 123.03595 122.0
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