CID 737089

115662-09-4

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1(CCN2CCC(C3=C(C(=CC1=C32)C=O)O)(C)C)C
InChI
InChI=1S/C17H23NO2/c1-16(2)5-7-18-8-6-17(3,4)13-14(18)12(16)9-11(10-19)15(13)20/h9-10,20H,5-8H2,1-4H3
InChIKey
ZBVWJSQPIHQKQJ-UHFFFAOYSA-N
Compound name
6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

273.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.0
[M+Na]+ 296.16210 178.0
[M+NH4]+ 291.20670 176.7
[M+K]+ 312.13604 166.8
[M-H]- 272.16560 167.0
[M+Na-2H]- 294.14755 170.5
[M]+ 273.17233 167.8
[M]- 273.17343 167.8
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