CID 12761832

2-(methylsulfanyl)-4,5-dihydro-1,3-oxazole hydroiodide

Structural Information

Molecular Formula
C4H7NOS
SMILES
CSC1=NCCO1
InChI
InChI=1S/C4H7NOS/c1-7-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
XDIASJCZMJPICQ-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

117.02483 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.03211 119.2
[M+Na]+ 140.01405 128.4
[M-H]- 116.01755 122.7
[M+NH4]+ 135.05865 141.8
[M+K]+ 155.98799 129.0
[M+H-H2O]+ 100.02209 114.1
[M+HCOO]- 162.02303 137.7
[M+CH3COO]- 176.03868 164.6
[M+Na-2H]- 137.99950 123.9
[M]+ 117.02428 121.3
[M]- 117.02538 121.3
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