CID 78869

5196-20-3

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=NC=C2COCC2=C1O
InChI
InChI=1S/C8H9NO2/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3
InChIKey
GFEZPGADIMGWOH-UHFFFAOYSA-N
Compound name
6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

151.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.6
[M+Na]+ 174.052538 137.3
[M-H]- 150.056044 130.7
[M+NH4]+ 169.097143 148.8
[M+K]+ 190.026478 136.2
[M+H-H2O]+ 134.060580 122.3
[M+HCOO]- 196.061521 148.5
[M+CH3COO]- 210.077171 172.3
[M+Na-2H]- 172.037986 135.0
[M]+ 151.06277142 128.2
[M]- 151.06386858 128.2
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