CID 542685

2-methyl-1,3-oxathiane

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1OCCCS1
InChI
InChI=1S/C5H10OS/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKey
VKZBKCJAWXBYBF-UHFFFAOYSA-N
Compound name
2-methyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

118.045235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 120.2
[M+Na]+ 141.03445 126.5
[M-H]- 117.03796 124.3
[M+NH4]+ 136.07906 141.9
[M+K]+ 157.00839 127.1
[M+H-H2O]+ 101.04250 115.4
[M+HCOO]- 163.04344 136.0
[M+CH3COO]- 177.05909 166.2
[M+Na-2H]- 139.01990 125.2
[M]+ 118.04469 118.6
[M]- 118.04578 118.6
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