CID 354616

Gentianine

Structural Information

Molecular Formula
C10H9NO2
SMILES
C=CC1=CN=CC2=C1CCOC2=O
InChI
InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2
InChIKey
DFNZYFAJQPLJFI-UHFFFAOYSA-N
Compound name
5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

374
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 142.5
[M-H]- 174.05604 137.4
[M+NH4]+ 193.09714 152.4
[M+K]+ 214.02648 140.7
[M+H-H2O]+ 158.06058 127.0
[M+HCOO]- 220.06152 153.5
[M+CH3COO]- 234.07717 179.7
[M+Na-2H]- 196.03799 142.0
[M]+ 175.06277 133.1
[M]- 175.06387 133.1
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