CID 66985

2-[2-(3-aminopropoxy)ethoxy]ethanol

Structural Information

Molecular Formula
C7H17NO3
SMILES
C(CN)COCCOCCO
InChI
InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2
InChIKey
DCZMLYRQHBZWLZ-UHFFFAOYSA-N
Compound name
2-[2-(3-aminopropoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

622
Patents

163.12085 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.128126 136.5
[M+Na]+ 186.110068 141.9
[M-H]- 162.113574 134.4
[M+NH4]+ 181.154673 156.0
[M+K]+ 202.084008 141.5
[M+H-H2O]+ 146.118110 131.1
[M+HCOO]- 208.119051 159.6
[M+CH3COO]- 222.134701 177.7
[M+Na-2H]- 184.095516 141.7
[M]+ 163.12030142 138.8
[M]- 163.12139858 138.8
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

patents stripe