CID 835321

2-methoxy-n-[(1r)-1-phenylethyl]acetamide

Structural Information

Molecular Formula
C11H15NO2
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)COC
InChI
InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKey
LJEDIKNIRTZHGK-SECBINFHSA-N
Compound name
2-methoxy-N-[(1R)-1-phenylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.6
[M+Na]+ 216.099498 149.0
[M-H]- 192.103004 146.9
[M+NH4]+ 211.144103 162.6
[M+K]+ 232.073438 148.0
[M+H-H2O]+ 176.107540 137.1
[M+HCOO]- 238.108481 167.2
[M+CH3COO]- 252.124131 186.4
[M+Na-2H]- 214.084946 148.5
[M]+ 193.10973142 144.3
[M]- 193.11082858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe