CID 77564

3957-22-0

Structural Information

Molecular Formula
C19H24O6
SMILES
CC(C)(C1=CC(=C(C(=C1)CO)O)CO)C2=CC(=C(C(=C2)CO)O)CO
InChI
InChI=1S/C19H24O6/c1-19(2,15-3-11(7-20)17(24)12(4-15)8-21)16-5-13(9-22)18(25)14(6-16)10-23/h3-6,20-25H,7-10H2,1-2H3
InChIKey
ZRIRUWWYQXWRNY-UHFFFAOYSA-N
Compound name
4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1066
Patents

348.1573 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.164576 182.5
[M+Na]+ 371.146518 189.1
[M-H]- 347.150024 182.0
[M+NH4]+ 366.191123 192.2
[M+K]+ 387.120458 184.2
[M+H-H2O]+ 331.154560 176.2
[M+HCOO]- 393.155501 195.4
[M+CH3COO]- 407.171151 204.1
[M+Na-2H]- 369.131966 182.1
[M]+ 348.15675142 182.9
[M]- 348.15784858 182.9
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

patents stripe