CID 21122973

Geq dipeptide

Structural Information

Molecular Formula
C10H17N3O6
SMILES
C(CC(=O)NC(=O)CC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O6/c11-5(9(16)17)1-3-7(14)13-8(15)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H,16,17)(H,18,19)(H,13,14,15)/t5-,6-/m0/s1
InChIKey
FCWNOQOVMGNKNG-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.11172 Da
Monoisotopic Mass

-7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 162.2
[M+Na]+ 298.10094 163.7
[M-H]- 274.10444 158.1
[M+NH4]+ 293.14554 174.4
[M+K]+ 314.07488 164.4
[M+H-H2O]+ 258.10898 155.2
[M+HCOO]- 320.10992 179.6
[M+CH3COO]- 334.12557 202.5
[M+Na-2H]- 296.08639 157.4
[M]+ 275.11117 158.3
[M]- 275.11227 158.3
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

No patent data available for this compound.