CID 12940906

Einecs 270-916-5

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)O
InChI
InChI=1S/C15H15NO2/c1-10-15(17)13-9-18-8-12(13)14(16-10)7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3
InChIKey
ZPHRLPUZKGQIIV-UHFFFAOYSA-N
Compound name
4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

241.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 153.5
[M+Na]+ 264.099498 162.5
[M-H]- 240.103004 159.6
[M+NH4]+ 259.144103 170.9
[M+K]+ 280.073438 159.0
[M+H-H2O]+ 224.107540 146.4
[M+HCOO]- 286.108481 173.5
[M+CH3COO]- 300.124131 166.3
[M+Na-2H]- 262.084946 158.5
[M]+ 241.10973142 154.4
[M]- 241.11082858 154.4
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