CID 18343026

1-methanesulfonylazetidin-3-ol

Structural Information

Molecular Formula
C4H9NO3S
SMILES
CS(=O)(=O)N1CC(C1)O
InChI
InChI=1S/C4H9NO3S/c1-9(7,8)5-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKey
CPTYCCCFVMZEDY-UHFFFAOYSA-N
Compound name
1-methylsulfonylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

151.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.037596 123.8
[M+Na]+ 174.019538 130.3
[M-H]- 150.023044 124.8
[M+NH4]+ 169.064143 136.8
[M+K]+ 189.993478 132.2
[M+H-H2O]+ 134.027580 113.1
[M+HCOO]- 196.028521 137.7
[M+CH3COO]- 210.044171 172.5
[M+Na-2H]- 172.004986 127.5
[M]+ 151.02977142 133.2
[M]- 151.03086858 133.2
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