CID 165469818

3-(trimethoxymethyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C16H18O3
SMILES
COC(C1=CC=CC(=C1)C2=CC=CC=C2)(OC)OC
InChI
InChI=1S/C16H18O3/c1-17-16(18-2,19-3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKey
SJQNPJHSLICZMB-UHFFFAOYSA-N
Compound name
1-phenyl-3-(trimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.12558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13286 159.1
[M+Na]+ 281.11480 166.1
[M-H]- 257.11830 165.8
[M+NH4]+ 276.15940 175.8
[M+K]+ 297.08874 163.9
[M+H-H2O]+ 241.12284 151.6
[M+HCOO]- 303.12378 181.9
[M+CH3COO]- 317.13943 195.7
[M+Na-2H]- 279.10025 166.2
[M]+ 258.12503 163.1
[M]- 258.12613 163.1
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