CID 15545710

5-(methoxymethyl)-3-[(1s)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol

Structural Information

Molecular Formula
C16H24O3
SMILES
C[C@@]1(CCCC1(C)C)C2=C(C(=CC(=C2)COC)O)O
InChI
InChI=1S/C16H24O3/c1-15(2)6-5-7-16(15,3)12-8-11(10-19-4)9-13(17)14(12)18/h8-9,17-18H,5-7,10H2,1-4H3/t16-/m1/s1
InChIKey
WBWSSBOUYGDHAI-MRXNPFEDSA-N
Compound name
5-(methoxymethyl)-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 159.7
[M+Na]+ 287.16177 168.1
[M-H]- 263.16527 164.6
[M+NH4]+ 282.20637 181.6
[M+K]+ 303.13571 164.7
[M+H-H2O]+ 247.16981 155.6
[M+HCOO]- 309.17075 179.1
[M+CH3COO]- 323.18640 193.6
[M+Na-2H]- 285.14722 161.7
[M]+ 264.17200 160.5
[M]- 264.17310 160.5
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.