CID 18531129

Ec 800-131-0

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CC1(C2CC[C@@]13CS(=O)(=O)N4C3(C2)O4)C
InChI
InChI=1S/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7?,9-,10?,11?/m1/s1
InChIKey
GBBJBUGPGFNISJ-DOQBQQKUSA-N
Compound name
(1R)-11,11-dimethyl-5-oxa-3lambda6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

229.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.084546 143.9
[M+Na]+ 252.066488 157.3
[M-H]- 228.069994 150.5
[M+NH4]+ 247.111093 170.2
[M+K]+ 268.040428 156.8
[M+H-H2O]+ 212.074530 143.8
[M+HCOO]- 274.075471 155.9
[M+CH3COO]- 288.091121 158.1
[M+Na-2H]- 250.051936 150.2
[M]+ 229.07672142 153.7
[M]- 229.07781858 153.7
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