CID 14570015

127411-75-0

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CC1([C@@H]2CC[C@]13CS(=O)(=O)N4[C@]3(O4)C(=O)O2)C
InChI
InChI=1S/C10H13NO5S/c1-8(2)6-3-4-9(8)5-17(13,14)11-10(9,16-11)7(12)15-6/h6H,3-5H2,1-2H3/t6-,9-,10-,11?/m0/s1
InChIKey
IBWARBOFSUICEE-GECZURGSSA-N
Compound name
(1S,6R,9S)-12,12-dimethyl-3,3-dioxo-5,8-dioxa-3lambda6-thia-4-azatetracyclo[7.2.1.01,6.04,6]dodecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05145 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 158.4
[M+Na]+ 282.04067 168.8
[M+NH4]+ 277.08527 172.1
[M+K]+ 298.01461 161.2
[M-H]- 258.04417 167.4
[M+Na-2H]- 280.02612 165.0
[M]+ 259.05090 164.6
[M]- 259.05200 164.6
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.