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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 143.4
[M+Na]+ 234.08894 150.9
[M-H]- 210.09244 147.6
[M+NH4]+ 229.13354 161.4
[M+K]+ 250.06288 150.1
[M+H-H2O]+ 194.09698 138.1
[M+HCOO]- 256.09792 161.7
[M+CH3COO]- 270.11357 155.4
[M+Na-2H]- 232.07439 152.0
[M]+ 211.09917 139.2
[M]- 211.10027 139.2
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

No patent data available for this compound.