CID 81935654

3-[ethyl(propyl)amino]propane-1,2-diol

Structural Information

Molecular Formula
C8H19NO2
SMILES
CCCN(CC)CC(CO)O
InChI
InChI=1S/C8H19NO2/c1-3-5-9(4-2)6-8(11)7-10/h8,10-11H,3-7H2,1-2H3
InChIKey
NLFUPHFCUKBMDH-UHFFFAOYSA-N
Compound name
3-[ethyl(propyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

161.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.148866 140.0
[M+Na]+ 184.130808 144.6
[M-H]- 160.134314 138.5
[M+NH4]+ 179.175413 159.8
[M+K]+ 200.104748 144.7
[M+H-H2O]+ 144.138850 134.8
[M+HCOO]- 206.139791 161.1
[M+CH3COO]- 220.155441 181.0
[M+Na-2H]- 182.116256 143.0
[M]+ 161.14104142 140.9
[M]- 161.14213858 140.9
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