CID 29837

2-(methoxymethyl)thiirane

Structural Information

Molecular Formula
C4H8OS
SMILES
COCC1CS1
InChI
InChI=1S/C4H8OS/c1-5-2-4-3-6-4/h4H,2-3H2,1H3
InChIKey
SVUNGRWSYPGFNP-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)thiirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

146
Patents

104.02959 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.036866 115.4
[M+Na]+ 127.018808 125.2
[M-H]- 103.022314 120.6
[M+NH4]+ 122.063413 134.2
[M+K]+ 142.992748 124.1
[M+H-H2O]+ 87.026850 109.7
[M+HCOO]- 149.027791 135.2
[M+CH3COO]- 163.043441 169.6
[M+Na-2H]- 125.004256 120.7
[M]+ 104.02904142 120.4
[M]- 104.03013858 120.4
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