CID 3062120

1-azafluorenol

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC=C2C3=C(C(C2=C1)O)N=CC=C3
InChI
InChI=1S/C12H9NO/c14-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)12/h1-7,12,14H
InChIKey
YSPPENCVKKUSSG-UHFFFAOYSA-N
Compound name
9H-indeno[2,3-b]pyridin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

183.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 136.1
[M+Na]+ 206.057638 146.6
[M-H]- 182.061144 139.6
[M+NH4]+ 201.102243 158.3
[M+K]+ 222.031578 141.9
[M+H-H2O]+ 166.065680 130.1
[M+HCOO]- 228.066621 157.7
[M+CH3COO]- 242.082271 150.1
[M+Na-2H]- 204.043086 144.5
[M]+ 183.06787142 136.3
[M]- 183.06896858 136.3
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