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

2
Patents

252.15141 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15869 159.0
[M+Na]+ 275.14063 168.8
[M-H]- 251.14413 166.3
[M+NH4]+ 270.18523 182.8
[M+K]+ 291.11457 163.4
[M+H-H2O]+ 235.14867 153.2
[M+HCOO]- 297.14961 180.1
[M+CH3COO]- 311.16526 172.2
[M+Na-2H]- 273.12608 163.9
[M]+ 252.15086 159.1
[M]- 252.15196 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