CID 54683785

6,7-dihydro-5h-cyclopenta[b]pyridine-2,4-diol

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC2=C(C1)NC(=O)C=C2O
InChI
InChI=1S/C8H9NO2/c10-7-4-8(11)9-6-3-1-2-5(6)7/h4H,1-3H2,(H2,9,10,11)
InChIKey
SCDZKHFXHRNLQM-UHFFFAOYSA-N
Compound name
4-hydroxy-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

151.06332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.8
[M+Na]+ 174.052538 137.3
[M-H]- 150.056044 128.9
[M+NH4]+ 169.097143 149.5
[M+K]+ 190.026478 133.7
[M+H-H2O]+ 134.060580 122.7
[M+HCOO]- 196.061521 148.3
[M+CH3COO]- 210.077171 169.0
[M+Na-2H]- 172.037986 133.9
[M]+ 151.06277142 125.3
[M]- 151.06386858 125.3
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