CID 82593828

1-(thietan-3-yl)propan-1-ol

Structural Information

Molecular Formula
C6H12OS
SMILES
CCC(C1CSC1)O
InChI
InChI=1S/C6H12OS/c1-2-6(7)5-3-8-4-5/h5-7H,2-4H2,1H3
InChIKey
OAKRSBHZYGCPEP-UHFFFAOYSA-N
Compound name
1-(thietan-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 123.4
[M+Na]+ 155.050098 127.6
[M-H]- 131.053604 125.3
[M+NH4]+ 150.094703 138.4
[M+K]+ 171.024038 129.5
[M+H-H2O]+ 115.058140 113.0
[M+HCOO]- 177.059081 137.7
[M+CH3COO]- 191.074731 172.9
[M+Na-2H]- 153.035546 125.1
[M]+ 132.06033142 131.3
[M]- 132.06142858 131.3
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.