CID 249902

2-(3-aminopropoxy)ethanol

Structural Information

Molecular Formula
C5H13NO2
SMILES
C(CN)COCCO
InChI
InChI=1S/C5H13NO2/c6-2-1-4-8-5-3-7/h7H,1-6H2
InChIKey
SQFCBBLSKSECMB-UHFFFAOYSA-N
Compound name
2-(3-aminopropoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

119.09463 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.101906 125.0
[M+Na]+ 142.083848 131.3
[M-H]- 118.087354 123.4
[M+NH4]+ 137.128453 146.3
[M+K]+ 158.057788 130.9
[M+H-H2O]+ 102.091890 120.3
[M+HCOO]- 164.092831 148.5
[M+CH3COO]- 178.108481 169.6
[M+Na-2H]- 140.069296 131.2
[M]+ 119.09408142 125.0
[M]- 119.09517858 125.0
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