CID 70530537

(2s)-2-{[(2s)-5-oxopyrrolidin-2-yl]formamido}pentanedioic acid

Structural Information

Molecular Formula
C10H14N2O6
SMILES
C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H14N2O6/c13-7-3-1-5(11-7)9(16)12-6(10(17)18)2-4-8(14)15/h5-6H,1-4H2,(H,11,13)(H,12,16)(H,14,15)(H,17,18)/t5-,6-/m0/s1
InChIKey
YRUFRJRFQFBNQR-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

258.08517 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 155.8
[M+Na]+ 281.07439 158.8
[M-H]- 257.07789 153.3
[M+NH4]+ 276.11899 169.6
[M+K]+ 297.04833 157.7
[M+H-H2O]+ 241.08243 149.4
[M+HCOO]- 303.08337 171.0
[M+CH3COO]- 317.09902 189.1
[M+Na-2H]- 279.05984 153.1
[M]+ 258.08462 151.5
[M]- 258.08572 151.5
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

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