CID 3022777

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

Structural Information

Molecular Formula
C18H26O
SMILES
CC1(CC(C2=C1C=C(C(=C2)O)C3CCCC3)(C)C)C
InChI
InChI=1S/C18H26O/c1-17(2)11-18(3,4)15-10-16(19)13(9-14(15)17)12-7-5-6-8-12/h9-10,12,19H,5-8,11H2,1-4H3
InChIKey
IAXRJXQHJSFPBF-UHFFFAOYSA-N
Compound name
6-cyclopentyl-1,1,3,3-tetramethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.19836 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 162.5
[M+Na]+ 281.18758 171.0
[M-H]- 257.19108 169.3
[M+NH4]+ 276.23218 188.0
[M+K]+ 297.16152 165.9
[M+H-H2O]+ 241.19562 158.2
[M+HCOO]- 303.19656 181.4
[M+CH3COO]- 317.21221 175.1
[M+Na-2H]- 279.17303 162.6
[M]+ 258.19781 160.9
[M]- 258.19891 160.9
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