CID 6435060

Indolene

Structural Information

Molecular Formula
C18H25NO
SMILES
CC(CCCC(C)(C)O)/C=C/N1C=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/b13-10+
InChIKey
HAPNXLWNFLTTIE-JLHYYAGUSA-N
Compound name
(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4652
References

205
Patents

271.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 169.5
[M+Na]+ 294.18282 176.4
[M-H]- 270.18632 171.0
[M+NH4]+ 289.22742 187.1
[M+K]+ 310.15676 171.3
[M+H-H2O]+ 254.19086 162.9
[M+HCOO]- 316.19180 188.1
[M+CH3COO]- 330.20745 198.3
[M+Na-2H]- 292.16827 172.8
[M]+ 271.19305 172.1
[M]- 271.19415 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

patents stripe