CID 165654391

2751603-14-0

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCOC1=CC=C(C=C1)C[C@H](C(=O)NC)N
InChI
InChI=1S/C12H18N2O2/c1-3-16-10-6-4-9(5-7-10)8-11(13)12(15)14-2/h4-7,11H,3,8,13H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKey
JIMVIVSANFSSCW-LLVKDONJSA-N
Compound name
(2R)-2-amino-3-(4-ethoxyphenyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.3
[M+Na]+ 245.126048 157.3
[M-H]- 221.129554 155.2
[M+NH4]+ 240.170653 169.7
[M+K]+ 261.099988 155.7
[M+H-H2O]+ 205.134090 145.3
[M+HCOO]- 267.135031 175.9
[M+CH3COO]- 281.150681 195.0
[M+Na-2H]- 243.111496 155.1
[M]+ 222.13628142 151.9
[M]- 222.13737858 151.9
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.