CID 69481

Tetraglycine

Structural Information

Molecular Formula
C8H14N4O5
SMILES
C(C(=O)NCC(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
InChIKey
QMOQBVOBWVNSNO-UHFFFAOYSA-N
Compound name
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

23057
Patents

246.09642 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.103696 152.7
[M+Na]+ 269.085638 155.1
[M-H]- 245.089144 150.7
[M+NH4]+ 264.130243 166.9
[M+K]+ 285.059578 155.6
[M+H-H2O]+ 229.093680 145.2
[M+HCOO]- 291.094621 175.5
[M+CH3COO]- 305.110271 199.6
[M+Na-2H]- 267.071086 153.2
[M]+ 246.09587142 149.8
[M]- 246.09696858 149.8
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