CID 480950

(3as,4as,7as,7br)-3,6,6-trimethyl-3a,4a,7a,7b-tetrahydro-[1,3]dioxolo[[?]:[?]]furo[[?]]isoxazole

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC1=NO[C@@H]2[C@H]1O[C@@H]3[C@H]2OC(O3)(C)C
InChI
InChI=1S/C9H13NO4/c1-4-5-6(14-10-4)7-8(11-5)13-9(2,3)12-7/h5-8H,1-3H3/t5-,6+,7-,8-/m0/s1
InChIKey
VLRRHLYTLMMPCG-YWIQKCBGSA-N
Compound name
(1S,2R,6S,8S)-5,10,10-trimethyl-3,7,9,11-tetraoxa-4-azatricyclo[6.3.0.02,6]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.08446 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 138.7
[M+Na]+ 222.07368 149.2
[M-H]- 198.07718 145.7
[M+NH4]+ 217.11828 160.9
[M+K]+ 238.04762 152.2
[M+H-H2O]+ 182.08172 137.6
[M+HCOO]- 244.08266 156.2
[M+CH3COO]- 258.09831 153.7
[M+Na-2H]- 220.05913 144.1
[M]+ 199.08391 144.3
[M]- 199.08501 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.