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
3
Annotation Hits

6
References

15081
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

literature stripe

Patent stripe

patents stripe