CID 50783

Benzoic acid, p-amino-, 2-(n-cyclohexyl-n-methylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CN(CCOC(=O)C1=CC=C(C=C1)N)C2CCCCC2
InChI
InChI=1S/C16H24N2O2/c1-18(15-5-3-2-4-6-15)11-12-20-16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12,17H2,1H3
InChIKey
VUDISYXDFQOOBD-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(methyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 166.7
[M+Na]+ 299.172998 168.6
[M-H]- 275.176504 172.7
[M+NH4]+ 294.217603 181.9
[M+K]+ 315.146938 166.9
[M+H-H2O]+ 259.181040 158.1
[M+HCOO]- 321.181981 187.6
[M+CH3COO]- 335.197631 206.4
[M+Na-2H]- 297.158446 167.7
[M]+ 276.18323142 162.8
[M]- 276.18432858 162.8
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.