CID 445302

Acetic acid salicyloyl-amino-ester

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC(=O)ONC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)
InChIKey
PCFWLDHLJWUGSU-UHFFFAOYSA-N
Compound name
[(2-hydroxybenzoyl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

195.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.0
[M+Na]+ 218.04238 146.1
[M-H]- 194.04588 141.7
[M+NH4]+ 213.08698 157.4
[M+K]+ 234.01632 145.2
[M+H-H2O]+ 178.05042 133.0
[M+HCOO]- 240.05136 162.4
[M+CH3COO]- 254.06701 181.0
[M+Na-2H]- 216.02783 143.8
[M]+ 195.05261 139.5
[M]- 195.05371 139.5
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