CID 138991552

Rac-[(1r,3s)-3-hydroxycyclopentyl](imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CS(=N)(=O)[C@@H]1CC[C@@H](C1)O
InChI
InChI=1S/C6H13NO2S/c1-10(7,9)6-3-2-5(8)4-6/h5-8H,2-4H2,1H3/t5-,6+,10?/m0/s1
InChIKey
QVCWIQNZGFHXSM-HIJFXMFQSA-N
Compound name
(1S,3R)-3-(methylsulfonimidoyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 133.8
[M+Na]+ 186.05592 140.9
[M-H]- 162.05942 136.1
[M+NH4]+ 181.10052 155.8
[M+K]+ 202.02986 138.6
[M+H-H2O]+ 146.06396 129.4
[M+HCOO]- 208.06490 150.4
[M+CH3COO]- 222.08055 173.0
[M+Na-2H]- 184.04137 136.0
[M]+ 163.06615 131.4
[M]- 163.06725 131.4
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.