CID 3059671

Glutamic acid, n-(2-chloronicotinoyl)-

Structural Information

Molecular Formula
C11H11ClN2O5
SMILES
C1=CC(=C(N=C1)Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C11H11ClN2O5/c12-9-6(2-1-5-13-9)10(17)14-7(11(18)19)3-4-8(15)16/h1-2,5,7H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t7-/m0/s1
InChIKey
YVSROHGWUQOQGM-ZETCQYMHSA-N
Compound name
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03564 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.042916 157.2
[M+Na]+ 309.024858 163.2
[M-H]- 285.028364 156.9
[M+NH4]+ 304.069463 170.3
[M+K]+ 324.998798 160.2
[M+H-H2O]+ 269.032900 151.3
[M+HCOO]- 331.033841 171.3
[M+CH3COO]- 345.049491 195.9
[M+Na-2H]- 307.010306 158.3
[M]+ 286.03509142 159.0
[M]- 286.03618858 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.