CID 12274207

5h-chromeno[2,3-b]pyridine

Structural Information

Molecular Formula
C12H9NO
SMILES
C1C2=C(N=CC=C2)OC3=CC=CC=C31
InChI
InChI=1S/C12H9NO/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11/h1-7H,8H2
InChIKey
MXIYRNSRKGMBLQ-UHFFFAOYSA-N
Compound name
5H-chromeno[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

98
Patents

183.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 134.5
[M+Na]+ 206.057638 143.6
[M-H]- 182.061144 139.2
[M+NH4]+ 201.102243 153.8
[M+K]+ 222.031578 140.9
[M+H-H2O]+ 166.065680 127.1
[M+HCOO]- 228.066621 154.4
[M+CH3COO]- 242.082271 148.1
[M+Na-2H]- 204.043086 146.6
[M]+ 183.06787142 134.4
[M]- 183.06896858 134.4
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