CID 155820622

2355086-03-0

Structural Information

Molecular Formula
C6H12OS
SMILES
CSCC1CC(C1)O
InChI
InChI=1S/C6H12OS/c1-8-4-5-2-6(7)3-5/h5-7H,2-4H2,1H3
InChIKey
AXGMXVWSKJFEAB-UHFFFAOYSA-N
Compound name
3-(methylsulfanylmethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.068156 121.3
[M+Na]+ 155.050098 126.7
[M-H]- 131.053604 123.6
[M+NH4]+ 150.094703 136.7
[M+K]+ 171.024038 128.2
[M+H-H2O]+ 115.058140 111.2
[M+HCOO]- 177.059081 136.7
[M+CH3COO]- 191.074731 173.2
[M+Na-2H]- 153.035546 123.6
[M]+ 132.06033142 130.2
[M]- 132.06142858 130.2
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.