CID 112288

2-(4-aminopentyl(ethyl)amino)ethanol

Structural Information

Molecular Formula
C9H22N2O
SMILES
CCN(CCCC(C)N)CCO
InChI
InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3
InChIKey
XUVXSSOPXQRCGL-UHFFFAOYSA-N
Compound name
2-[4-aminopentyl(ethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

174.17322 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.18050 145.4
[M+Na]+ 197.16244 149.2
[M-H]- 173.16594 144.6
[M+NH4]+ 192.20704 164.8
[M+K]+ 213.13638 149.1
[M+H-H2O]+ 157.17048 139.4
[M+HCOO]- 219.17142 167.8
[M+CH3COO]- 233.18707 189.0
[M+Na-2H]- 195.14789 147.5
[M]+ 174.17267 145.2
[M]- 174.17377 145.2
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.