CID 5702745

62742-50-1

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC[C@@H](C)COC(=O)/C=C/C1=CC=C(C=C1)N
InChI
InChI=1S/C14H19NO2/c1-3-11(2)10-17-14(16)9-6-12-4-7-13(15)8-5-12/h4-9,11H,3,10,15H2,1-2H3/b9-6+/t11-/m1/s1
InChIKey
OUZTVIGSXSIPAZ-OALRPVAKSA-N
Compound name
[(2R)-2-methylbutyl] (E)-3-(4-aminophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 156.4
[M+Na]+ 256.13081 161.9
[M-H]- 232.13431 159.1
[M+NH4]+ 251.17541 173.8
[M+K]+ 272.10475 159.2
[M+H-H2O]+ 216.13885 149.7
[M+HCOO]- 278.13979 178.6
[M+CH3COO]- 292.15544 194.4
[M+Na-2H]- 254.11626 157.9
[M]+ 233.14104 156.8
[M]- 233.14214 156.8
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.