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

104
Patents

177.13649 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.143766 140.6
[M+Na]+ 200.125708 146.0
[M-H]- 176.129214 139.8
[M+NH4]+ 195.170313 160.3
[M+K]+ 216.099648 146.3
[M+H-H2O]+ 160.133750 134.8
[M+HCOO]- 222.134691 164.9
[M+CH3COO]- 236.150341 183.3
[M+Na-2H]- 198.111156 145.8
[M]+ 177.13594142 145.2
[M]- 177.13703858 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

patents stripe