CID 88577576

3-methoxycyclobutane-1-thiol

Structural Information

Molecular Formula
C5H10OS
SMILES
COC1CC(C1)S
InChI
InChI=1S/C5H10OS/c1-6-4-2-5(7)3-4/h4-5,7H,2-3H2,1H3
InChIKey
UKXBOAQRZGCRPX-UHFFFAOYSA-N
Compound name
3-methoxycyclobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

118.045235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 115.2
[M+Na]+ 141.034453 121.5
[M-H]- 117.037959 119.1
[M+NH4]+ 136.079058 131.9
[M+K]+ 157.008393 124.2
[M+H-H2O]+ 101.042495 105.2
[M+HCOO]- 163.043436 132.5
[M+CH3COO]- 177.059086 172.9
[M+Na-2H]- 139.019901 118.6
[M]+ 118.04468642 125.6
[M]- 118.04578358 125.6
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

patents stripe