CID 65993593

(1-methanesulfonylazetidin-3-yl)methanol

Structural Information

Molecular Formula
C5H11NO3S
SMILES
CS(=O)(=O)N1CC(C1)CO
InChI
InChI=1S/C5H11NO3S/c1-10(8,9)6-2-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKey
LVCKHLVESYMEFX-UHFFFAOYSA-N
Compound name
(1-methylsulfonylazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.04596 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 128.3
[M+Na]+ 188.03518 134.4
[M-H]- 164.03868 129.2
[M+NH4]+ 183.07978 140.7
[M+K]+ 204.00912 136.0
[M+H-H2O]+ 148.04322 117.5
[M+HCOO]- 210.04416 141.9
[M+CH3COO]- 224.05981 175.4
[M+Na-2H]- 186.02063 131.5
[M]+ 165.04541 138.1
[M]- 165.04651 138.1
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

patents stripe