CID 118269

Brn 1462795

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1CC2=CC=CC=C2C(C3=C1C=CN=C3)O

InChI

InChI=1S/C14H13NO/c16-14-12-4-2-1-3-10(12)5-6-11-7-8-15-9-13(11)14/h1-4,7-9,14,16H,5-6H2

InChIKey

QKFXTKYWOCKZFP-UHFFFAOYSA-N

Compound name

5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.09972 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.106996	143.4
[M+Na]+	234.088938	150.9
[M-H]-	210.092444	147.6
[M+NH4]+	229.133543	161.4
[M+K]+	250.062878	150.1
[M+H-H2O]+	194.096980	138.1
[M+HCOO]-	256.097921	161.7
[M+CH3COO]-	270.113571	155.4
[M+Na-2H]-	232.074386	152.0
[M]+	211.09917142	139.2
[M]-	211.10026858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.