CID 3022770

6-isobutyl-1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula
C17H26O
SMILES
CC(C)CC1=CC2=C(C=C1O)C(CC2(C)C)(C)C
InChI
InChI=1S/C17H26O/c1-11(2)7-12-8-13-14(9-15(12)18)17(5,6)10-16(13,3)4/h8-9,11,18H,7,10H2,1-6H3
InChIKey
NZXCKXLASHGCFV-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-6-(2-methylpropyl)-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.