CID 2737322

2-{2-[2-(benzyloxy)ethoxy]ethoxy}ethan-1-ol

Structural Information

Molecular Formula
C13H20O4
SMILES
C1=CC=C(C=C1)COCCOCCOCCO
InChI
InChI=1S/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKey
KVPHZILZNXDCNH-UHFFFAOYSA-N
Compound name
2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

613
Patents

240.13615 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.143426 155.1
[M+Na]+ 263.125368 160.1
[M-H]- 239.128874 156.3
[M+NH4]+ 258.169973 171.7
[M+K]+ 279.099308 158.4
[M+H-H2O]+ 223.133410 148.1
[M+HCOO]- 285.134351 177.7
[M+CH3COO]- 299.150001 188.8
[M+Na-2H]- 261.110816 160.7
[M]+ 240.13560142 160.3
[M]- 240.13669858 160.3
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