CID 7018721

Ophthalmic acid

Structural Information

Molecular Formula
C11H19N3O6
SMILES
CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey
JCMUOFQHZLPHQP-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

484
Patents

289.12738 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13466 166.4
[M+Na]+ 312.11660 166.9
[M+NH4]+ 307.16120 167.0
[M+K]+ 328.09054 168.8
[M-H]- 288.12010 160.6
[M+Na-2H]- 310.10205 162.2
[M]+ 289.12683 163.5
[M]- 289.12793 163.5
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

patents stripe