CID 7010588

Gln-gln

Structural Information

Molecular Formula
C10H18N4O5
SMILES
C(CC(=O)N)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1
InChIKey
LOJYQMFIIJVETK-WDSKDSINSA-N
Compound name
(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11536
Patents

274.12772 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13500 163.0
[M+Na]+ 297.11694 164.1
[M-H]- 273.12044 159.8
[M+NH4]+ 292.16154 175.3
[M+K]+ 313.09088 165.0
[M+H-H2O]+ 257.12498 155.5
[M+HCOO]- 319.12592 182.0
[M+CH3COO]- 333.14157 208.1
[M+Na-2H]- 295.10239 157.9
[M]+ 274.12717 157.8
[M]- 274.12827 157.8
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