CID 480949

Chembl96634

Structural Information

Molecular Formula
C10H15NO5
SMILES
CC1(O[C@H]2[C@H]3[C@H](C(=NO3)COC)O[C@H]2O1)C
InChI
InChI=1S/C10H15NO5/c1-10(2)14-8-7-6(13-9(8)15-10)5(4-12-3)11-16-7/h6-9H,4H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKey
XPXFQHXMDKWDBY-KZVJFYERSA-N
Compound name
(1S,2R,6S,8S)-5-(methoxymethyl)-10,10-dimethyl-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

229.09502 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 145.6
[M+Na]+ 252.08424 155.4
[M-H]- 228.08774 152.5
[M+NH4]+ 247.12884 166.5
[M+K]+ 268.05818 158.8
[M+H-H2O]+ 212.09228 144.3
[M+HCOO]- 274.09322 162.9
[M+CH3COO]- 288.10887 160.0
[M+Na-2H]- 250.06969 150.8
[M]+ 229.09447 153.0
[M]- 229.09557 153.0
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.