CID 2736132

386704-11-6

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)CO
InChI
InChI=1S/C13H13NO2/c15-8-11-7-10-4-1-3-9-5-2-6-14(12(9)10)13(11)16/h1,3-4,7,15H,2,5-6,8H2
InChIKey
IEMXDQUCFFPIEV-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 144.8
[M+Na]+ 238.08386 159.6
[M+NH4]+ 233.12846 154.4
[M+K]+ 254.05780 151.8
[M-H]- 214.08736 147.2
[M+Na-2H]- 236.06931 150.5
[M]+ 215.09409 147.6
[M]- 215.09519 147.6
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