CID 3019950

Einecs 283-165-3

Structural Information

Molecular Formula
C8H20N2O2
SMILES
CN(C)CCCNCC(CO)O
InChI
InChI=1S/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChIKey
RXFQHLJNQDJBEG-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propylamino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.15248 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.159756 143.6
[M+Na]+ 199.141698 147.2
[M-H]- 175.145204 142.0
[M+NH4]+ 194.186303 162.3
[M+K]+ 215.115638 147.3
[M+H-H2O]+ 159.149740 137.7
[M+HCOO]- 221.150681 165.6
[M+CH3COO]- 235.166331 186.1
[M+Na-2H]- 197.127146 146.7
[M]+ 176.15193142 143.5
[M]- 176.15302858 143.5
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.