CID 51021

M.g. 8979

Structural Information

Molecular Formula
C13H21NO4
SMILES
COC1=CC=CC=C1OCCOCCOCCN
InChI
InChI=1S/C13H21NO4/c1-15-12-4-2-3-5-13(12)18-11-10-17-9-8-16-7-6-14/h2-5H,6-11,14H2,1H3
InChIKey
XJXNZJOETZIKRR-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 158.1
[M+Na]+ 278.136278 163.5
[M-H]- 254.139784 160.5
[M+NH4]+ 273.180883 174.5
[M+K]+ 294.110218 162.4
[M+H-H2O]+ 238.144320 150.6
[M+HCOO]- 300.145261 182.6
[M+CH3COO]- 314.160911 196.9
[M+Na-2H]- 276.121726 162.8
[M]+ 255.14651142 163.8
[M]- 255.14760858 163.8
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

No patent data available for this compound.