CID 124581705

144032-36-0

Structural Information

Molecular Formula
C14H19NO3
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)OC(=O)C)N(C)C(=O)C
InChI
InChI=1S/C14H19NO3/c1-10(15(4)11(2)16)14(18-12(3)17)13-8-6-5-7-9-13/h5-10,14H,1-4H3/t10-,14+/m0/s1
InChIKey
DISCLSGXBAXBTJ-IINYFYTJSA-N
Compound name
[(1S,2S)-2-[acetyl(methyl)amino]-1-phenylpropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.8
[M+Na]+ 272.12571 163.0
[M-H]- 248.12921 163.3
[M+NH4]+ 267.17031 175.9
[M+K]+ 288.09965 163.7
[M+H-H2O]+ 232.13375 151.8
[M+HCOO]- 294.13469 180.4
[M+CH3COO]- 308.15034 201.3
[M+Na-2H]- 270.11116 159.0
[M]+ 249.13594 161.3
[M]- 249.13704 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.