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

36
Patents

151.03032 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 123.8
[M+Na]+ 174.01954 130.3
[M-H]- 150.02304 124.8
[M+NH4]+ 169.06414 136.8
[M+K]+ 189.99348 132.2
[M+H-H2O]+ 134.02758 113.1
[M+HCOO]- 196.02852 137.7
[M+CH3COO]- 210.04417 172.5
[M+Na-2H]- 172.00499 127.5
[M]+ 151.02977 133.2
[M]- 151.03087 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