CID 52980

P-aminobenzoic acid (2-(sec-butylamino)-1-methyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCC(C)NCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O2/c1-4-10(2)16-9-11(3)18-14(17)12-5-7-13(15)8-6-12/h5-8,10-11,16H,4,9,15H2,1-3H3
InChIKey
BYDZEOVMOZMCPA-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 162.0
[M+Na]+ 273.15734 165.9
[M-H]- 249.16084 164.6
[M+NH4]+ 268.20194 178.2
[M+K]+ 289.13128 164.4
[M+H-H2O]+ 233.16538 154.8
[M+HCOO]- 295.16632 183.9
[M+CH3COO]- 309.18197 202.0
[M+Na-2H]- 271.14279 162.5
[M]+ 250.16757 161.7
[M]- 250.16867 161.7
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.