CID 131751190

1-methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol

Structural Information

Molecular Formula
C13H20O5
SMILES
CC(C(C1=CC(=C(C=C1OC)OC)OC)OC)O
InChI
InChI=1S/C13H20O5/c1-8(14)13(18-5)9-6-11(16-3)12(17-4)7-10(9)15-2/h6-8,13-14H,1-5H3
InChIKey
IXNRGYSRFBDZLB-UHFFFAOYSA-N
Compound name
1-methoxy-1-(2,4,5-trimethoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13835 156.6
[M+Na]+ 279.12029 163.8
[M-H]- 255.12379 159.2
[M+NH4]+ 274.16489 173.4
[M+K]+ 295.09423 164.0
[M+H-H2O]+ 239.12833 150.4
[M+HCOO]- 301.12927 177.4
[M+CH3COO]- 315.14492 196.3
[M+Na-2H]- 277.10574 157.8
[M]+ 256.13052 163.3
[M]- 256.13162 163.3
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.