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]+ 178.143766 141.1
[M+Na]+ 200.125708 146.0
[M-H]- 176.129214 138.8
[M+NH4]+ 195.170313 160.0
[M+K]+ 216.099648 145.3
[M+H-H2O]+ 160.133750 135.4
[M+HCOO]- 222.134691 163.7
[M+CH3COO]- 236.150341 180.7
[M+Na-2H]- 198.111156 145.7
[M]+ 177.13594142 143.7
[M]- 177.13703858 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.