CID 75979

2749-70-4

Structural Information

Molecular Formula
C15H16O2
SMILES
C1=CC=C(C=C1)COCOCC2=CC=CC=C2
InChI
InChI=1S/C15H16O2/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey
JCTHGPXQXLMSDK-UHFFFAOYSA-N
Compound name
phenylmethoxymethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

520
Patents

228.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.2
[M+Na]+ 251.104258 157.3
[M-H]- 227.107764 157.3
[M+NH4]+ 246.148863 168.7
[M+K]+ 267.078198 154.2
[M+H-H2O]+ 211.112300 143.4
[M+HCOO]- 273.113241 175.7
[M+CH3COO]- 287.128891 189.2
[M+Na-2H]- 249.089706 158.7
[M]+ 228.11449142 153.4
[M]- 228.11558858 153.4
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