CID 367371

Nsc637010

Structural Information

Molecular Formula
C16H18O3
SMILES
CC1=C(C=CC(=C1)OCC(CO)O)C2=CC=CC=C2
InChI
InChI=1S/C16H18O3/c1-12-9-15(19-11-14(18)10-17)7-8-16(12)13-5-3-2-4-6-13/h2-9,14,17-18H,10-11H2,1H3
InChIKey
TVGMLVDBVKUDLV-UHFFFAOYSA-N
Compound name
3-(3-methyl-4-phenylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 159.4
[M+Na]+ 281.11480 165.7
[M-H]- 257.11830 163.4
[M+NH4]+ 276.15940 174.8
[M+K]+ 297.08874 161.8
[M+H-H2O]+ 241.12284 152.2
[M+HCOO]- 303.12378 179.7
[M+CH3COO]- 317.13943 192.2
[M+Na-2H]- 279.10025 162.8
[M]+ 258.12503 159.9
[M]- 258.12613 159.9
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.