CID 46937113

(2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC(=C(C=C1CC(=N)C(=O)O)O)O
InChI
InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)
InChIKey
VFINRVRRNHRWEQ-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.1
[M+Na]+ 218.04238 146.0
[M-H]- 194.04588 139.2
[M+NH4]+ 213.08698 156.0
[M+K]+ 234.01632 143.4
[M+H-H2O]+ 178.05042 133.7
[M+HCOO]- 240.05136 159.4
[M+CH3COO]- 254.06701 179.6
[M+Na-2H]- 216.02783 142.2
[M]+ 195.05261 136.4
[M]- 195.05371 136.4
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