CID 67434

1-oxa-4-thiaspiro[4.4]nonane

Structural Information

Molecular Formula
C7H12OS
SMILES
C1CCC2(C1)OCCS2
InChI
InChI=1S/C7H12OS/c1-2-4-7(3-1)8-5-6-9-7/h1-6H2
InChIKey
AGDQMFKRKWUWTF-UHFFFAOYSA-N
Compound name
1-oxa-4-thiaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.06088 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.068156 130.3
[M+Na]+ 167.050098 137.3
[M-H]- 143.053604 136.5
[M+NH4]+ 162.094703 156.6
[M+K]+ 183.024038 137.6
[M+H-H2O]+ 127.058140 126.6
[M+HCOO]- 189.059081 147.2
[M+CH3COO]- 203.074731 144.4
[M+Na-2H]- 165.035546 133.2
[M]+ 144.06033142 128.2
[M]- 144.06142858 128.2
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