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

45
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

literature stripe

Patent stripe

patents stripe