CID 55299066

1481613-21-1

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1[C@H]2CN[C@@H]1CS2(=O)=O
InChI
InChI=1S/C5H9NO2S/c7-9(8)3-4-1-5(9)2-6-4/h4-6H,1-3H2/t4-,5-/m0/s1
InChIKey
REPYGHXGZNDHNU-WHFBIAKZSA-N
Compound name
(1S,4S)-2lambda6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

147.0354 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 127.8
[M+Na]+ 170.02462 137.9
[M-H]- 146.02812 128.8
[M+NH4]+ 165.06922 155.1
[M+K]+ 185.99856 135.9
[M+H-H2O]+ 130.03266 124.9
[M+HCOO]- 192.03360 143.5
[M+CH3COO]- 206.04925 141.9
[M+Na-2H]- 168.01007 131.4
[M]+ 147.03485 128.0
[M]- 147.03595 128.0
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