CID 3022773

93892-37-6

Structural Information

Molecular Formula
C17H26O
SMILES
CCC(C)C1=CC2=C(C=C1O)C(CC2(C)C)(C)C
InChI
InChI=1S/C17H26O/c1-7-11(2)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
RQWQNDDLWURPDH-UHFFFAOYSA-N
Compound name
6-butan-2-yl-1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 157.4
[M+Na]+ 269.18758 166.8
[M-H]- 245.19108 161.4
[M+NH4]+ 264.23218 182.2
[M+K]+ 285.16152 162.9
[M+H-H2O]+ 229.19562 154.0
[M+HCOO]- 291.19656 176.2
[M+CH3COO]- 305.21221 197.3
[M+Na-2H]- 267.17303 159.4
[M]+ 246.19781 159.5
[M]- 246.19891 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.