CID 73425912

(2s)-6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-indan-1-one

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=CC2=C(C(=C1C(CO)O)C)C(=O)[C@](C2)(C)CO
InChI
InChI=1S/C15H20O4/c1-8-4-10-5-15(3,7-17)14(19)13(10)9(2)12(8)11(18)6-16/h4,11,16-18H,5-7H2,1-3H3/t11?,15-/m0/s1
InChIKey
QGJBYUSRTZDTTF-MHTVFEQDSA-N
Compound name
(2S)-6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 159.3
[M+Na]+ 287.125388 168.4
[M-H]- 263.128894 160.7
[M+NH4]+ 282.169993 179.8
[M+K]+ 303.099328 164.4
[M+H-H2O]+ 247.133430 155.9
[M+HCOO]- 309.134371 176.4
[M+CH3COO]- 323.150021 193.6
[M+Na-2H]- 285.110836 159.9
[M]+ 264.13562142 160.7
[M]- 264.13671858 160.7
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.