CID 229722

2-(2-(benzyloxy)ethoxy)ethan-1-ol

Structural Information

Molecular Formula
C11H16O3
SMILES
C1=CC=C(C=C1)COCCOCCO
InChI
InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
LJVNVNLFZQFJHU-UHFFFAOYSA-N
Compound name
2-(2-phenylmethoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4151
Patents

196.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.2
[M+Na]+ 219.09916 149.1
[M-H]- 195.10266 144.8
[M+NH4]+ 214.14376 161.7
[M+K]+ 235.07310 147.4
[M+H-H2O]+ 179.10720 136.9
[M+HCOO]- 241.10814 166.3
[M+CH3COO]- 255.12379 180.8
[M+Na-2H]- 217.08461 149.8
[M]+ 196.10939 146.2
[M]- 196.11049 146.2
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