CID 50699

69780-85-4

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCCNC(C)(C)COC(=O)C1=CC(=CC=C1)N
InChI
InChI=1S/C14H22N2O2/c1-4-8-16-14(2,3)10-18-13(17)11-6-5-7-12(15)9-11/h5-7,9,16H,4,8,10,15H2,1-3H3
InChIKey
IDAPSNHLABOAAZ-UHFFFAOYSA-N
Compound name
[2-methyl-2-(propylamino)propyl] 3-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.7
[M+Na]+ 273.15734 165.5
[M-H]- 249.16084 163.4
[M+NH4]+ 268.20194 177.1
[M+K]+ 289.13128 163.4
[M+H-H2O]+ 233.16538 153.9
[M+HCOO]- 295.16632 183.0
[M+CH3COO]- 309.18197 200.6
[M+Na-2H]- 271.14279 164.5
[M]+ 250.16757 161.2
[M]- 250.16867 161.2
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.