CID 48910

67031-52-1

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15/h8-11,14,19H,3-7,12-13,18H2,1-2H3
InChIKey
BWKVGJASZQNEDR-UHFFFAOYSA-N
Compound name
2-(octan-2-ylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 175.0
[M+Na]+ 315.204318 177.9
[M-H]- 291.207824 176.9
[M+NH4]+ 310.248923 189.6
[M+K]+ 331.178258 175.1
[M+H-H2O]+ 275.212360 167.0
[M+HCOO]- 337.213301 196.9
[M+CH3COO]- 351.228951 210.1
[M+Na-2H]- 313.189766 175.2
[M]+ 292.21455142 176.4
[M]- 292.21564858 176.4
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.