CID 7014903

H-glu(abu-oh)-oh

Structural Information

Molecular Formula
C9H16N2O5
SMILES
CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey
FUZOZPRKGAXGOB-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxypropyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

259
Patents

232.10593 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 153.1
[M+Na]+ 255.09515 156.0
[M+NH4]+ 250.13975 155.5
[M+K]+ 271.06909 156.6
[M-H]- 231.09865 148.1
[M+Na-2H]- 253.08060 150.5
[M]+ 232.10538 151.0
[M]- 232.10648 151.0
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