CID 5317559

Gentiatibetine

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=NC=CC2=C1C(OCC2)O
InChI
InChI=1S/C9H11NO2/c1-6-8-7(2-4-10-6)3-5-12-9(8)11/h2,4,9,11H,3,5H2,1H3
InChIKey
HCBOYQSYWSEVID-UHFFFAOYSA-N
Compound name
8-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.07898 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.3
[M+Na]+ 188.06820 140.6
[M-H]- 164.07170 134.9
[M+NH4]+ 183.11280 151.0
[M+K]+ 204.04214 139.4
[M+H-H2O]+ 148.07624 126.1
[M+HCOO]- 210.07718 150.6
[M+CH3COO]- 224.09283 175.7
[M+Na-2H]- 186.05365 140.8
[M]+ 165.07843 131.1
[M]- 165.07953 131.1
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