CID 18711581

N,n-bis(carboxymethyl)-l-glutamic acid

Structural Information

Molecular Formula
C9H13NO8
SMILES
C(CC(=O)O)[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t5-/m0/s1
InChIKey
VCVKIIDXVWEWSZ-YFKPBYRVSA-N
Compound name
(2S)-2-[bis(carboxymethyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

16108
Patents

263.06412 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07140 153.1
[M+Na]+ 286.05334 156.0
[M-H]- 262.05684 148.7
[M+NH4]+ 281.09794 166.1
[M+K]+ 302.02728 157.5
[M+H-H2O]+ 246.06138 147.3
[M+HCOO]- 308.06232 169.0
[M+CH3COO]- 322.07797 193.0
[M+Na-2H]- 284.03879 150.4
[M]+ 263.06357 153.8
[M]- 263.06467 153.8
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.