CID 12980245

7-oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-

Structural Information

Molecular Formula
C7H13NOS
SMILES
CC1C2(CCO1)NCCS2
InChI
InChI=1S/C7H13NOS/c1-6-7(2-4-9-6)8-3-5-10-7/h6,8H,2-5H2,1H3
InChIKey
OPFPLXAEUOBWQR-UHFFFAOYSA-N
Compound name
6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

415
Patents

159.0718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 133.2
[M+Na]+ 182.06102 140.6
[M-H]- 158.06452 136.8
[M+NH4]+ 177.10562 157.1
[M+K]+ 198.03496 140.0
[M+H-H2O]+ 142.06906 129.0
[M+HCOO]- 204.07000 147.4
[M+CH3COO]- 218.08565 146.3
[M+Na-2H]- 180.04647 134.9
[M]+ 159.07125 130.1
[M]- 159.07235 130.1
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