CID 10682272

[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol

Structural Information

Molecular Formula
C15H21ClO
SMILES
CC1=CC2=C(CC(C2)(C)C)C(=C1CCCl)CO
InChI
InChI=1S/C15H21ClO/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,17H,4-5,7-9H2,1-3H3
InChIKey
YRVKHQPHSAAEOU-UHFFFAOYSA-N
Compound name
[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1281 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13538 158.0
[M+Na]+ 275.11732 168.3
[M-H]- 251.12082 161.5
[M+NH4]+ 270.16192 181.3
[M+K]+ 291.09126 162.1
[M+H-H2O]+ 235.12536 154.4
[M+HCOO]- 297.12630 173.9
[M+CH3COO]- 311.14195 194.4
[M+Na-2H]- 273.10277 160.2
[M]+ 252.12755 161.4
[M]- 252.12865 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.