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

2
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

patents stripe