CID 146155110

3-[2-(3-aminopropoxy)ethoxy]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H19NO3
SMILES
C(CN)COCCOCCCO
InChI
InChI=1S/C8H19NO3/c9-3-1-5-11-7-8-12-6-2-4-10/h10H,1-9H2
InChIKey
ZNGPKQCBHCNVLZ-UHFFFAOYSA-N
Compound name
3-[2-(3-aminopropoxy)ethoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.13649 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14377 141.1
[M+Na]+ 200.12571 146.0
[M-H]- 176.12921 138.8
[M+NH4]+ 195.17031 160.0
[M+K]+ 216.09965 145.3
[M+H-H2O]+ 160.13375 135.4
[M+HCOO]- 222.13469 163.7
[M+CH3COO]- 236.15034 180.7
[M+Na-2H]- 198.11116 145.7
[M]+ 177.13594 143.7
[M]- 177.13704 143.7
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

No patent data available for this compound.