CID 50636

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

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC(C)CCNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O2/c1-12(2)9-10-18-16(3,4)11-20-15(19)13-5-7-14(17)8-6-13/h5-8,12,18H,9-11,17H2,1-4H3
InChIKey
JECZNHBKZVMKML-UHFFFAOYSA-N
Compound name
[2-methyl-2-(3-methylbutylamino)propyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 169.6
[M+Na]+ 301.18865 177.6
[M+NH4]+ 296.23325 175.5
[M+K]+ 317.16259 173.0
[M-H]- 277.19215 170.7
[M+Na-2H]- 299.17410 173.3
[M]+ 278.19888 170.7
[M]- 278.19998 170.7
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.