CID 93852

57938-78-0

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCOC(=O)CNCC1=CC=CC=C1O
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)8-12-7-9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3
InChIKey
GOHVFLROCZFZMF-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-hydroxyphenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.0
[M+Na]+ 232.094418 152.1
[M-H]- 208.097924 148.2
[M+NH4]+ 227.139023 163.9
[M+K]+ 248.068358 150.3
[M+H-H2O]+ 192.102460 139.7
[M+HCOO]- 254.103401 169.3
[M+CH3COO]- 268.119051 186.2
[M+Na-2H]- 230.079866 151.0
[M]+ 209.10465142 147.3
[M]- 209.10574858 147.3
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