CID 423706

1-diethylamino-2-propanol, p-aminobenzoate

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCN(CC)CC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O2/c1-4-16(5-2)10-11(3)18-14(17)12-6-8-13(15)9-7-12/h6-9,11H,4-5,10,15H2,1-3H3
InChIKey
ZUNAJHZCXSUXGT-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.7
[M+Na]+ 273.15734 166.1
[M-H]- 249.16084 165.7
[M+NH4]+ 268.20194 178.7
[M+K]+ 289.13128 165.4
[M+H-H2O]+ 233.16538 154.2
[M+HCOO]- 295.16632 185.2
[M+CH3COO]- 309.18197 204.5
[M+Na-2H]- 271.14279 162.7
[M]+ 250.16757 163.3
[M]- 250.16867 163.3
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.