CID 35855

((2-methoxyethoxy)methyl)benzene

Structural Information

Molecular Formula
C10H14O2
SMILES
COCCOCC1=CC=CC=C1
InChI
InChI=1S/C10H14O2/c1-11-7-8-12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
XBSQOKFFZZKPFM-UHFFFAOYSA-N
Compound name
2-methoxyethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

166.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 134.9
[M+Na]+ 189.08860 141.9
[M-H]- 165.09210 138.3
[M+NH4]+ 184.13320 155.6
[M+K]+ 205.06254 140.9
[M+H-H2O]+ 149.09664 128.9
[M+HCOO]- 211.09758 159.7
[M+CH3COO]- 225.11323 178.5
[M+Na-2H]- 187.07405 142.7
[M]+ 166.09883 138.1
[M]- 166.09993 138.1
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