CID 13709830

3-(2-aminoethoxy)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H13NO2
SMILES
C(CO)COCCN
InChI
InChI=1S/C5H13NO2/c6-2-5-8-4-1-3-7/h7H,1-6H2
InChIKey
WWQGVCABJDSUME-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
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

literature stripe

Patent stripe

patents stripe