CID 4989777

55739-39-4

Structural Information

Molecular Formula
C10H11NO5
SMILES
C1=CC(=C(C=C1C(=O)O)CNCC(=O)O)O
InChI
InChI=1S/C10H11NO5/c12-8-2-1-6(10(15)16)3-7(8)4-11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14)(H,15,16)
InChIKey
ZASGCNOMAYYQIX-UHFFFAOYSA-N
Compound name
3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

40
Patents

225.06372 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 147.7
[M+Na]+ 248.05294 156.2
[M+NH4]+ 243.09754 152.4
[M+K]+ 264.02688 153.8
[M-H]- 224.05644 146.2
[M+Na-2H]- 246.03839 150.3
[M]+ 225.06317 147.9
[M]- 225.06427 147.9
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

patents stripe