CID 55299065

1909301-38-7

Structural Information

Molecular Formula
C5H9NOS
SMILES
C1[C@H]2CN[C@@H]1CS2=O
InChI
InChI=1S/C5H9NOS/c7-8-3-4-1-5(8)2-6-4/h4-6H,1-3H2/t4-,5-,8?/m0/s1
InChIKey
IYJVZZVNMPNBDK-NRAWUNKKSA-N
Compound name
(1S,4S)-2lambda4-thia-5-azabicyclo[2.2.1]heptane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.04048 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04776 125.5
[M+Na]+ 154.02970 134.7
[M-H]- 130.03320 126.3
[M+NH4]+ 149.07430 151.6
[M+K]+ 170.00364 132.9
[M+H-H2O]+ 114.03774 121.9
[M+HCOO]- 176.03868 140.8
[M+CH3COO]- 190.05433 139.4
[M+Na-2H]- 152.01515 127.5
[M]+ 131.03993 124.6
[M]- 131.04103 124.6
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

No patent data available for this compound.