CID 10011856

100937-75-5

Structural Information

Molecular Formula
C4H8OS
SMILES
C1CSC[C@@H]1O
InChI
InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1
InChIKey
BJYXNFYVCZIXQC-SCSAIBSYSA-N
Compound name
(3R)-thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

664
Patents

104.02959 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.036866 118.8
[M+Na]+ 127.018808 126.2
[M-H]- 103.022314 121.3
[M+NH4]+ 122.063413 143.5
[M+K]+ 142.992748 125.2
[M+H-H2O]+ 87.026850 114.6
[M+HCOO]- 149.027791 136.3
[M+CH3COO]- 163.043441 160.4
[M+Na-2H]- 125.004256 121.3
[M]+ 104.02904142 116.7
[M]- 104.03013858 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe