CID 53438640

6-octen-2-ol, 8-(1h-indol-1-yl)-2,5-dimethyl-

Structural Information

Molecular Formula
C18H25NO
SMILES
CC(CCC(C)(C)O)C=CCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C18H25NO/c1-15(10-12-18(2,3)20)7-6-13-19-14-11-16-8-4-5-9-17(16)19/h4-9,11,14-15,20H,10,12-13H2,1-3H3
InChIKey
ZLKBAOOFLSCTRV-UHFFFAOYSA-N
Compound name
8-indol-1-yl-2,5-dimethyloct-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.