CID 5279295

(1s,2r)-8-isopropyl-2,5-dimethyl-tetralin-1,2-diol

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C2CC[C@@]([C@H](C2=C(C=C1)C(C)C)O)(C)O
InChI
InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h5-6,9,14,16-17H,7-8H2,1-4H3/t14-,15+/m0/s1
InChIKey
CODNRFYJXVEFBP-LSDHHAIUSA-N
Compound name
(1S,2R)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 154.3
[M+Na]+ 257.151208 162.0
[M-H]- 233.154714 156.4
[M+NH4]+ 252.195813 174.7
[M+K]+ 273.125148 158.5
[M+H-H2O]+ 217.159250 149.7
[M+HCOO]- 279.160191 170.1
[M+CH3COO]- 293.175841 191.6
[M+Na-2H]- 255.136656 156.9
[M]+ 234.16144142 152.7
[M]- 234.16253858 152.7
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.