CID 70818

1136-52-3

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=NC=C(C2=C1OC(OC2)(C)C)CO
InChI
InChI=1S/C11H15NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4,13H,5-6H2,1-3H3
InChIKey
CZFIJMPIIQHVJD-UHFFFAOYSA-N
Compound name
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

65
Patents

209.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 144.7
[M+Na]+ 232.094418 154.2
[M-H]- 208.097924 148.4
[M+NH4]+ 227.139023 162.6
[M+K]+ 248.068358 154.2
[M+H-H2O]+ 192.102460 138.7
[M+HCOO]- 254.103401 161.5
[M+CH3COO]- 268.119051 184.9
[M+Na-2H]- 230.079866 153.3
[M]+ 209.10465142 147.1
[M]- 209.10574858 147.1
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

patents stripe