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]+ 256.15434 158.1
[M+Na]+ 278.13628 163.5
[M-H]- 254.13978 160.5
[M+NH4]+ 273.18088 174.5
[M+K]+ 294.11022 162.4
[M+H-H2O]+ 238.14432 150.6
[M+HCOO]- 300.14526 182.6
[M+CH3COO]- 314.16091 196.9
[M+Na-2H]- 276.12173 162.8
[M]+ 255.14651 163.8
[M]- 255.14761 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.