CID 469529

Mn.ggrs.4h2o

Structural Information

Molecular Formula
C12H14N2O5
SMILES
COC1=CC=CC(=C1O)C=NCC(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O5/c1-19-9-4-2-3-8(12(9)18)5-13-6-10(15)14-7-11(16)17/h2-5,18H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKey
IWBDGHYMLGCBFW-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 157.1
[M+Na]+ 289.07949 162.8
[M-H]- 265.08299 159.5
[M+NH4]+ 284.12409 172.2
[M+K]+ 305.05343 161.4
[M+H-H2O]+ 249.08753 149.9
[M+HCOO]- 311.08847 180.8
[M+CH3COO]- 325.10412 198.8
[M+Na-2H]- 287.06494 160.1
[M]+ 266.08972 159.0
[M]- 266.09082 159.0
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.