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 171.2
[M+Na]+ 337.10464 177.1
[M-H]- 313.10814 178.1
[M+NH4]+ 332.14924 183.8
[M+K]+ 353.07858 173.8
[M+H-H2O]+ 297.11268 164.3
[M+HCOO]- 359.11362 188.2
[M+CH3COO]- 373.12927 198.9
[M+Na-2H]- 335.09009 170.7
[M]+ 314.11487 169.7
[M]- 314.11597 169.7
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.