CID 11622468

1,3-dioxolo[4,5-c]pyridin-7-ol, hexahydro-2,2,4-trimethyl-, (3ar,4s,7r,7as)-

Structural Information

Molecular Formula
C9H17NO3
SMILES
C[C@H]1[C@@H]2[C@H]([C@@H](CN1)O)OC(O2)(C)C
InChI
InChI=1S/C9H17NO3/c1-5-7-8(6(11)4-10-5)13-9(2,3)12-7/h5-8,10-11H,4H2,1-3H3/t5-,6+,7+,8-/m0/s1
InChIKey
FFXXJTWOLUDTGD-OSMVPFSASA-N
Compound name
(3aR,4S,7R,7aS)-2,2,4-trimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 140.7
[M+Na]+ 210.11007 148.4
[M-H]- 186.11357 142.3
[M+NH4]+ 205.15467 160.5
[M+K]+ 226.08401 148.2
[M+H-H2O]+ 170.11811 136.6
[M+HCOO]- 232.11905 154.4
[M+CH3COO]- 246.13470 177.2
[M+Na-2H]- 208.09552 145.5
[M]+ 187.12030 138.3
[M]- 187.12140 138.3
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