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]+ 175.180496 145.4
[M+Na]+ 197.162438 149.2
[M-H]- 173.165944 144.6
[M+NH4]+ 192.207043 164.8
[M+K]+ 213.136378 149.1
[M+H-H2O]+ 157.170480 139.4
[M+HCOO]- 219.171421 167.8
[M+CH3COO]- 233.187071 189.0
[M+Na-2H]- 195.147886 147.5
[M]+ 174.17267142 145.2
[M]- 174.17376858 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

literature stripe

Patent stripe

patents stripe