CID 50795

69781-48-2

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCCCNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-4-5-6-7-12-19-17(2,3)13-21-16(20)14-8-10-15(18)11-9-14/h8-11,19H,4-7,12-13,18H2,1-3H3
InChIKey
PYYHETRKGYNQKT-UHFFFAOYSA-N
Compound name
[2-(hexylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 174.3
[M+Na]+ 315.20432 177.8
[M-H]- 291.20782 176.4
[M+NH4]+ 310.24892 189.0
[M+K]+ 331.17826 175.0
[M+H-H2O]+ 275.21236 166.9
[M+HCOO]- 337.21330 195.6
[M+CH3COO]- 351.22895 209.6
[M+Na-2H]- 313.18977 176.6
[M]+ 292.21455 175.9
[M]- 292.21565 175.9
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.