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
3
Annotation Hits

0
References

644
Patents

163.12085 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12813 136.5
[M+Na]+ 186.11007 141.9
[M-H]- 162.11357 134.4
[M+NH4]+ 181.15467 156.0
[M+K]+ 202.08401 141.5
[M+H-H2O]+ 146.11811 131.1
[M+HCOO]- 208.11905 159.6
[M+CH3COO]- 222.13470 177.7
[M+Na-2H]- 184.09552 141.7
[M]+ 163.12030 138.8
[M]- 163.12140 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