CID 151483

2,3,-dihydroxybenzoylserine

Structural Information

Molecular Formula
C10H11NO6
SMILES
C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1
InChIKey
VDTYHTVHFIIEIL-LURJTMIESA-N
Compound name
(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

154
Patents

241.05864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06592 149.4
[M+Na]+ 264.04786 154.8
[M-H]- 240.05136 147.9
[M+NH4]+ 259.09246 163.5
[M+K]+ 280.02180 153.1
[M+H-H2O]+ 224.05590 143.5
[M+HCOO]- 286.05684 167.2
[M+CH3COO]- 300.07249 185.5
[M+Na-2H]- 262.03331 150.3
[M]+ 241.05809 147.4
[M]- 241.05919 147.4
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