CID 4989777

3-(carboxymethylaminomethyl)-4-hydroxybenzoic acid

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

42
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 146.1
[M+Na]+ 248.05294 152.3
[M-H]- 224.05644 145.9
[M+NH4]+ 243.09754 161.7
[M+K]+ 264.02688 150.2
[M+H-H2O]+ 208.06098 140.2
[M+HCOO]- 270.06192 166.2
[M+CH3COO]- 284.07757 184.9
[M+Na-2H]- 246.03839 148.7
[M]+ 225.06317 145.2
[M]- 225.06427 145.2
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