CID 112522

62742-51-2

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC[C@@H](C)COC(=O)C(=CC1=CC=C(C=C1)N)C
InChI
InChI=1S/C15H21NO2/c1-4-11(2)10-18-15(17)12(3)9-13-5-7-14(16)8-6-13/h5-9,11H,4,10,16H2,1-3H3/t11-/m1/s1
InChIKey
DLZHYQUKEWUPSX-LLVKDONJSA-N
Compound name
[(2R)-2-methylbutyl] 3-(4-aminophenyl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 161.2
[M+Na]+ 270.146448 166.1
[M-H]- 246.149954 163.8
[M+NH4]+ 265.191053 178.0
[M+K]+ 286.120388 163.7
[M+H-H2O]+ 230.154490 154.5
[M+HCOO]- 292.155431 182.1
[M+CH3COO]- 306.171081 198.4
[M+Na-2H]- 268.131896 161.0
[M]+ 247.15668142 161.3
[M]- 247.15777858 161.3
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.