CID 86580391

1013921-36-2

Structural Information

Molecular Formula
C11H21NO4
SMILES
C#CCOCCOCCOCCOCCN
InChI
InChI=1S/C11H21NO4/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1H,3-12H2
InChIKey
QDLPAHLHHBCWOW-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

231.14706 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 146.6
[M+Na]+ 254.13628 153.2
[M-H]- 230.13978 144.8
[M+NH4]+ 249.18088 162.0
[M+K]+ 270.11022 152.4
[M+H-H2O]+ 214.14432 134.4
[M+HCOO]- 276.14526 164.6
[M+CH3COO]- 290.16091 199.6
[M+Na-2H]- 252.12173 150.3
[M]+ 231.14651 147.3
[M]- 231.14761 147.3
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

patents stripe