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
cis-(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]+ 164.073976 133.8
[M+Na]+ 186.055918 140.9
[M-H]- 162.059424 136.1
[M+NH4]+ 181.100523 155.8
[M+K]+ 202.029858 138.6
[M+H-H2O]+ 146.063960 129.4
[M+HCOO]- 208.064901 150.4
[M+CH3COO]- 222.080551 173.0
[M+Na-2H]- 184.041366 136.0
[M]+ 163.06615142 131.4
[M]- 163.06724858 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.