CID 165775216

2751608-22-5

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CS(=N)(=O)CC1CC(C1)O
InChI
InChI=1S/C6H13NO2S/c1-10(7,9)4-5-2-6(8)3-5/h5-8H,2-4H2,1H3
InChIKey
UAVDASOGIMBVNK-UHFFFAOYSA-N
Compound name
3-[(methylsulfonimidoyl)methyl]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.073976 130.8
[M+Na]+ 186.055918 135.5
[M-H]- 162.059424 132.8
[M+NH4]+ 181.100523 144.2
[M+K]+ 202.029858 136.4
[M+H-H2O]+ 146.063960 119.9
[M+HCOO]- 208.064901 145.8
[M+CH3COO]- 222.080551 178.5
[M+Na-2H]- 184.041366 133.6
[M]+ 163.06615142 138.2
[M]- 163.06724858 138.2
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

No patent data available for this compound.