CID 17754065

Nz-(dicarboxymethyl)lysine

Structural Information

Molecular Formula
C9H16N2O6
SMILES
C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1
InChIKey
XINFXVVRMYBFMI-YFKPBYRVSA-N
Compound name
2-[[(5S)-5-amino-5-carboxypentyl]amino]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

248.10083 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10811 155.1
[M+Na]+ 271.09005 157.2
[M-H]- 247.09355 150.0
[M+NH4]+ 266.13465 168.3
[M+K]+ 287.06399 157.3
[M+H-H2O]+ 231.09809 148.8
[M+HCOO]- 293.09903 171.7
[M+CH3COO]- 307.11468 193.2
[M+Na-2H]- 269.07550 152.2
[M]+ 248.10028 152.2
[M]- 248.10138 152.2
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