CID 3033452

Dtxsid30867663

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

CC(CCCC(C)(C)O)C=CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3

InChIKey

HAPNXLWNFLTTIE-UHFFFAOYSA-N

Compound name

8-indol-1-yl-2,6-dimethyloct-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4668
References: 498
Patents: 271.1936 Da
Monoisotopic Mass: 4.2
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]+	272.200876	169.5
[M+Na]+	294.182818	176.4
[M-H]-	270.186324	171.0
[M+NH4]+	289.227423	187.1
[M+K]+	310.156758	171.3
[M+H-H2O]+	254.190860	162.9
[M+HCOO]-	316.191801	188.1
[M+CH3COO]-	330.207451	198.3
[M+Na-2H]-	292.168266	172.8
[M]+	271.19305142	172.1
[M]-	271.19414858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe