CID 50767

Benzoic acid, p-amino-, (2-(2-ethylhexylamino)-2-methyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCC(CC)CNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-5-7-8-15(6-2)13-21-19(3,4)14-23-18(22)16-9-11-17(20)12-10-16/h9-12,15,21H,5-8,13-14,20H2,1-4H3
InChIKey
SJLHLXQNKNOACS-UHFFFAOYSA-N
Compound name
[2-(2-ethylhexylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 183.6
[M+Na]+ 343.23559 186.0
[M-H]- 319.23909 185.4
[M+NH4]+ 338.28019 197.1
[M+K]+ 359.20953 183.4
[M+H-H2O]+ 303.24363 176.0
[M+HCOO]- 365.24457 203.3
[M+CH3COO]- 379.26022 216.5
[M+Na-2H]- 341.22104 183.6
[M]+ 320.24582 185.3
[M]- 320.24692 185.3
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.