CID 102580

1217-08-9

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C(C)CO)(C)C

InChI

InChI=1S/C17H26O/c1-11(10-18)13-7-8-14-15(9-13)17(5,6)12(2)16(14,3)4/h7-9,11-12,18H,10H2,1-6H3

InChIKey

FADUOCSCUWPALK-UHFFFAOYSA-N

Compound name

2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 33
Patents: 246.19836 Da
Monoisotopic Mass: 4.7
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]+	247.205636	157.4
[M+Na]+	269.187578	166.8
[M-H]-	245.191084	161.4
[M+NH4]+	264.232183	182.2
[M+K]+	285.161518	162.9
[M+H-H2O]+	229.195620	154.0
[M+HCOO]-	291.196561	176.2
[M+CH3COO]-	305.212211	197.3
[M+Na-2H]-	267.173026	159.4
[M]+	246.19781142	159.5
[M]-	246.19890858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe