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]+ 248.16451 161.2
[M+Na]+ 270.14645 166.1
[M-H]- 246.14995 163.8
[M+NH4]+ 265.19105 178.0
[M+K]+ 286.12039 163.7
[M+H-H2O]+ 230.15449 154.5
[M+HCOO]- 292.15543 182.1
[M+CH3COO]- 306.17108 198.4
[M+Na-2H]- 268.13190 161.0
[M]+ 247.15668 161.3
[M]- 247.15778 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.