CID 50640

Benzoic acid, p-amino-, 1,1-dimethyl-2-(isopentylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC(C)CCNCC(C)(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O2/c1-12(2)9-10-18-11-16(3,4)20-15(19)13-5-7-14(17)8-6-13/h5-8,12,18H,9-11,17H2,1-4H3
InChIKey
FJZZLRBMTOANGB-UHFFFAOYSA-N
Compound name
[2-methyl-1-(3-methylbutylamino)propan-2-yl] 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]+ 279.206706 170.0
[M+Na]+ 301.188648 173.7
[M-H]- 277.192154 172.4
[M+NH4]+ 296.233253 185.2
[M+K]+ 317.162588 171.7
[M+H-H2O]+ 261.196690 163.0
[M+HCOO]- 323.197631 190.7
[M+CH3COO]- 337.213281 207.5
[M+Na-2H]- 299.174096 171.6
[M]+ 278.19888142 170.6
[M]- 278.19997858 170.6
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.