CID 156908056

Nrapuspclwhfan-xyphtwiqsa-n

Structural Information

Molecular Formula
C18H18O5
SMILES
C1[C@H]([C@@H](C(=O)O1)[C@H](C2=CC(=CC=C2)O)O)CC3=CC(=CC=C3)O
InChI
InChI=1S/C18H18O5/c19-14-5-1-3-11(8-14)7-13-10-23-18(22)16(13)17(21)12-4-2-6-15(20)9-12/h1-6,8-9,13,16-17,19-21H,7,10H2/t13-,16-,17+/m1/s1
InChIKey
NRAPUSPCLWHFAN-XYPHTWIQSA-N
Compound name
(3R,4S)-3-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 172.7
[M+Na]+ 337.10464 184.4
[M+NH4]+ 332.14924 179.0
[M+K]+ 353.07858 181.5
[M-H]- 313.10814 177.3
[M+Na-2H]- 335.09009 177.9
[M]+ 314.11487 175.5
[M]- 314.11597 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.