CID 50719

69780-95-6

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCCCCC(C)N(C)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C18H30N2O2/c1-4-5-6-7-8-15(2)20(3)13-14-22-18(21)16-9-11-17(19)12-10-16/h9-12,15H,4-8,13-14,19H2,1-3H3
InChIKey
QOLVHWOCGXDRIB-UHFFFAOYSA-N
Compound name
2-[methyl(octan-2-yl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 180.2
[M+Na]+ 329.219958 182.8
[M-H]- 305.223464 183.4
[M+NH4]+ 324.264563 194.8
[M+K]+ 345.193898 181.2
[M+H-H2O]+ 289.228000 171.9
[M+HCOO]- 351.228941 202.3
[M+CH3COO]- 365.244591 216.4
[M+Na-2H]- 327.205406 179.0
[M]+ 306.23019142 183.3
[M]- 306.23128858 183.3
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.