CID 55279072

2413874-86-7

Structural Information

Molecular Formula
C5H9NOS
SMILES
C1C2(CN1)CS(=O)C2
InChI
InChI=1S/C5H9NOS/c7-8-3-5(4-8)1-6-2-5/h6H,1-4H2
InChIKey
YSYFHRIMYHBTIO-UHFFFAOYSA-N
Compound name
2lambda4-thia-6-azaspiro[3.3]heptane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.04048 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 111.6
[M+Na]+ 154.02970 115.9
[M-H]- 130.03320 114.3
[M+NH4]+ 149.07430 120.4
[M+K]+ 170.00364 119.7
[M+H-H2O]+ 114.03774 97.6
[M+HCOO]- 176.03868 124.0
[M+CH3COO]- 190.05433 179.6
[M+Na-2H]- 152.01515 116.6
[M]+ 131.03993 125.7
[M]- 131.04103 125.7
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