CID 119868

29171-27-5

Structural Information

Molecular Formula
C21H29NO
SMILES
CC(C)(C)CC(C)(C)CC(C=C)C1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C21H29NO/c1-7-15(13-21(5,6)14-20(2,3)4)17-11-10-16-9-8-12-22-18(16)19(17)23/h7-12,15,23H,1,13-14H2,2-6H3
InChIKey
VOHHCUUIBNXCNP-UHFFFAOYSA-N
Compound name
7-(5,5,7,7-tetramethyloct-1-en-3-yl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

311.2249 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 180.4
[M+Na]+ 334.21412 186.4
[M-H]- 310.21762 181.7
[M+NH4]+ 329.25872 194.7
[M+K]+ 350.18806 181.3
[M+H-H2O]+ 294.22216 173.6
[M+HCOO]- 356.22310 194.1
[M+CH3COO]- 370.23875 209.4
[M+Na-2H]- 332.19957 184.1
[M]+ 311.22435 181.8
[M]- 311.22545 181.8
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.