CID 6427055

L-alanylglycylglycylglycine

Structural Information

Molecular Formula
C9H16N4O5
SMILES
C[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C9H16N4O5/c1-5(10)9(18)13-3-7(15)11-2-6(14)12-4-8(16)17/h5H,2-4,10H2,1H3,(H,11,15)(H,12,14)(H,13,18)(H,16,17)/t5-/m1/s1
InChIKey
KEULKIZRPKJGIH-RXMQYKEDSA-N
Compound name
2-[[2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

260.11206 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11934 158.2
[M+Na]+ 283.10128 160.0
[M-H]- 259.10478 156.1
[M+NH4]+ 278.14588 171.8
[M+K]+ 299.07522 161.0
[M+H-H2O]+ 243.10932 150.7
[M+HCOO]- 305.11026 179.7
[M+CH3COO]- 319.12591 203.6
[M+Na-2H]- 281.08673 156.9
[M]+ 260.11151 155.0
[M]- 260.11261 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe