CID 58741575

91933-40-3

Structural Information

Molecular Formula
C8H19NO3
SMILES
COCCOCCOCCCN
InChI
InChI=1S/C8H19NO3/c1-10-5-6-12-8-7-11-4-2-3-9/h2-9H2,1H3
InChIKey
VBDATSSUKFRRCY-UHFFFAOYSA-N
Compound name
3-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

177.13649 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14377 140.6
[M+Na]+ 200.12571 146.0
[M-H]- 176.12921 139.8
[M+NH4]+ 195.17031 160.3
[M+K]+ 216.09965 146.3
[M+H-H2O]+ 160.13375 134.8
[M+HCOO]- 222.13469 164.9
[M+CH3COO]- 236.15034 183.3
[M+Na-2H]- 198.11116 145.8
[M]+ 177.13594 145.2
[M]- 177.13704 145.2
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.