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

30
Patents

147.0354 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 127.8
[M+Na]+ 170.024618 137.9
[M-H]- 146.028124 128.8
[M+NH4]+ 165.069223 155.1
[M+K]+ 185.998558 135.9
[M+H-H2O]+ 130.032660 124.9
[M+HCOO]- 192.033601 143.5
[M+CH3COO]- 206.049251 141.9
[M+Na-2H]- 168.010066 131.4
[M]+ 147.03485142 128.0
[M]- 147.03594858 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