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]+ 265.179826 159.7
[M+Na]+ 287.161768 168.1
[M-H]- 263.165274 164.6
[M+NH4]+ 282.206373 181.6
[M+K]+ 303.135708 164.7
[M+H-H2O]+ 247.169810 155.6
[M+HCOO]- 309.170751 179.1
[M+CH3COO]- 323.186401 193.6
[M+Na-2H]- 285.147216 161.7
[M]+ 264.17200142 160.5
[M]- 264.17309858 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.