CID 14219639

118646-21-2

Structural Information

Molecular Formula
C6H16N2O
SMILES
CN(CCCO)CCN
InChI
InChI=1S/C6H16N2O/c1-8(5-3-7)4-2-6-9/h9H,2-7H2,1H3
InChIKey
BGBRROYMRJIQFT-UHFFFAOYSA-N
Compound name
3-[2-aminoethyl(methyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe