CID 103816

1,3,3-trimethyl-1-phenylindan-5-ol

Structural Information

Molecular Formula
C18H20O
SMILES
CC1(CC(C2=C1C=C(C=C2)O)(C)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20O/c1-17(2)12-18(3,13-7-5-4-6-8-13)15-10-9-14(19)11-16(15)17/h4-11,19H,12H2,1-3H3
InChIKey
XCRNADHTKBRCAN-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-1-phenyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.15141 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.158686 159.0
[M+Na]+ 275.140628 168.8
[M-H]- 251.144134 166.3
[M+NH4]+ 270.185233 182.8
[M+K]+ 291.114568 163.4
[M+H-H2O]+ 235.148670 153.2
[M+HCOO]- 297.149611 180.1
[M+CH3COO]- 311.165261 172.2
[M+Na-2H]- 273.126076 163.9
[M]+ 252.15086142 159.1
[M]- 252.15195858 159.1
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