CID 415283

2-({3-[(2-hydroxyethyl)amino]propyl}amino)ethan-1-ol

Structural Information

Molecular Formula
C7H18N2O2
SMILES
C(CNCCO)CNCCO
InChI
InChI=1S/C7H18N2O2/c10-6-4-8-2-1-3-9-5-7-11/h8-11H,1-7H2
InChIKey
XDSBMMZQOKZFQI-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethylamino)propylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

162.13683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14411 136.9
[M+Na]+ 185.12605 141.0
[M-H]- 161.12955 133.9
[M+NH4]+ 180.17065 155.6
[M+K]+ 201.09999 139.4
[M+H-H2O]+ 145.13409 131.2
[M+HCOO]- 207.13503 159.8
[M+CH3COO]- 221.15068 178.8
[M+Na-2H]- 183.11150 142.8
[M]+ 162.13628 135.9
[M]- 162.13738 135.9
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

patents stripe