CID 100082

Glycyl-leucyl-glycyl-glycine

Structural Information

Molecular Formula
C12H22N4O5
SMILES
CC(C)CC(C(=O)NCC(=O)NCC(=O)O)NC(=O)CN
InChI
InChI=1S/C12H22N4O5/c1-7(2)3-8(16-9(17)4-13)12(21)15-5-10(18)14-6-11(19)20/h7-8H,3-6,13H2,1-2H3,(H,14,18)(H,15,21)(H,16,17)(H,19,20)
InChIKey
OTEWWRBKGONZBW-UHFFFAOYSA-N
Compound name
2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3306
Patents

302.15903 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16631 172.3
[M+Na]+ 325.14825 172.6
[M-H]- 301.15175 169.7
[M+NH4]+ 320.19285 184.1
[M+K]+ 341.12219 173.7
[M+H-H2O]+ 285.15629 164.5
[M+HCOO]- 347.15723 191.9
[M+CH3COO]- 361.17288 213.5
[M+Na-2H]- 323.13370 168.3
[M]+ 302.15848 169.6
[M]- 302.15958 169.6
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