CID 51501

72017-54-0

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCC(C)NC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O2/c1-5-11(2)17-15(3,4)10-19-14(18)12-6-8-13(16)9-7-12/h6-9,11,17H,5,10,16H2,1-4H3
InChIKey
MKKPOOYOXOSISF-UHFFFAOYSA-N
Compound name
[2-(butan-2-ylamino)-2-methylpropyl] 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]+ 265.19106 165.4
[M+Na]+ 287.17300 169.6
[M-H]- 263.17650 168.0
[M+NH4]+ 282.21760 181.2
[M+K]+ 303.14694 167.8
[M+H-H2O]+ 247.18104 158.6
[M+HCOO]- 309.18198 186.4
[M+CH3COO]- 323.19763 204.5
[M+Na-2H]- 285.15845 167.5
[M]+ 264.18323 165.6
[M]- 264.18433 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.