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]+ 287.04292 157.2
[M+Na]+ 309.02486 163.2
[M-H]- 285.02836 156.9
[M+NH4]+ 304.06946 170.3
[M+K]+ 324.99880 160.2
[M+H-H2O]+ 269.03290 151.3
[M+HCOO]- 331.03384 171.3
[M+CH3COO]- 345.04949 195.9
[M+Na-2H]- 307.01031 158.3
[M]+ 286.03509 159.0
[M]- 286.03619 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.