CID 6917064

Ethyl 2-[(1-phenylethyl)amino]acetate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCOC(=O)CNC(C)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKey
NFYBPTIJJCODFR-UHFFFAOYSA-N
Compound name
ethyl 2-(1-phenylethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

207.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 148.3
[M+Na]+ 230.115148 153.3
[M-H]- 206.118654 151.4
[M+NH4]+ 225.159753 166.7
[M+K]+ 246.089088 152.0
[M+H-H2O]+ 190.123190 141.6
[M+HCOO]- 252.124131 171.5
[M+CH3COO]- 266.139781 189.4
[M+Na-2H]- 228.100596 152.6
[M]+ 207.12538142 149.3
[M]- 207.12647858 149.3
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