CID 50781

P-aminobenzoic acid (2-(isobutylamino)-2-methyl)propyl ester hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)CNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O2/c1-11(2)9-17-15(3,4)10-19-14(18)12-5-7-13(16)8-6-12/h5-8,11,17H,9-10,16H2,1-4H3
InChIKey
CABOOJZDMBQWRB-UHFFFAOYSA-N
Compound name
[2-methyl-2-(2-methylpropylamino)propyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 165.4
[M+Na]+ 287.172998 169.6
[M-H]- 263.176504 168.0
[M+NH4]+ 282.217603 181.2
[M+K]+ 303.146938 167.8
[M+H-H2O]+ 247.181040 158.6
[M+HCOO]- 309.181981 186.4
[M+CH3COO]- 323.197631 204.5
[M+Na-2H]- 285.158446 167.5
[M]+ 264.18323142 165.6
[M]- 264.18432858 165.6
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.