CID 116458

Ar-(allyloxy)benzenetrimethanol

Structural Information

Molecular Formula
C12H16O4
SMILES
C=CCOC1=C(C=C(C=C1CO)CO)CO
InChI
InChI=1S/C12H16O4/c1-2-3-16-12-10(7-14)4-9(6-13)5-11(12)8-15/h2,4-5,13-15H,1,3,6-8H2
InChIKey
LCZGQAGYKBQHKZ-UHFFFAOYSA-N
Compound name
[3,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

224.10486 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.1
[M+Na]+ 247.09408 156.7
[M-H]- 223.09758 148.9
[M+NH4]+ 242.13868 165.8
[M+K]+ 263.06802 153.0
[M+H-H2O]+ 207.10212 143.6
[M+HCOO]- 269.10306 169.1
[M+CH3COO]- 283.11871 183.6
[M+Na-2H]- 245.07953 152.1
[M]+ 224.10431 150.7
[M]- 224.10541 150.7
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

patents stripe