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

533
Patents

119.09463 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.10191 125.0
[M+Na]+ 142.08385 131.3
[M-H]- 118.08735 123.4
[M+NH4]+ 137.12845 146.3
[M+K]+ 158.05779 130.9
[M+H-H2O]+ 102.09189 120.3
[M+HCOO]- 164.09283 148.5
[M+CH3COO]- 178.10848 169.6
[M+Na-2H]- 140.06930 131.2
[M]+ 119.09408 125.0
[M]- 119.09518 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