CID 11434970

2-[(3-aminopropyl)methylamino]ethanol

Structural Information

Molecular Formula
C6H16N2O
SMILES
CN(CCCN)CCO
InChI
InChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3
InChIKey
UOQYWMZLTNEIFI-UHFFFAOYSA-N
Compound name
2-[3-aminopropyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1199
Patents

132.12627 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.13355 130.8
[M+Na]+ 155.11549 136.0
[M-H]- 131.11899 130.4
[M+NH4]+ 150.16009 151.9
[M+K]+ 171.08943 136.2
[M+H-H2O]+ 115.12353 125.3
[M+HCOO]- 177.12447 155.1
[M+CH3COO]- 191.14012 179.0
[M+Na-2H]- 153.10094 135.8
[M]+ 132.12572 130.1
[M]- 132.12682 130.1
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