CID 547315

3-{[2-(dimethylamino)ethyl](methyl)amino}propan-1-ol

Structural Information

Molecular Formula
C8H20N2O
SMILES
CN(C)CCN(C)CCCO
InChI
InChI=1S/C8H20N2O/c1-9(2)6-7-10(3)5-4-8-11/h11H,4-8H2,1-3H3
InChIKey
PPFDEALFRXNPFV-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl-methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

160.15756 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.16484 140.1
[M+Na]+ 183.14678 144.6
[M-H]- 159.15028 141.4
[M+NH4]+ 178.19138 161.0
[M+K]+ 199.12072 146.1
[M+H-H2O]+ 143.15482 134.1
[M+HCOO]- 205.15576 164.9
[M+CH3COO]- 219.17141 189.3
[M+Na-2H]- 181.13223 144.3
[M]+ 160.15701 142.5
[M]- 160.15811 142.5
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

patents stripe