CID 4305457

Leucylglutamine

Structural Information

Molecular Formula
C11H21N3O4
SMILES
CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)
InChIKey
JYOAXOMPIXKMKK-UHFFFAOYSA-N
Compound name
5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

259.1532 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 164.0
[M+Na]+ 282.14242 165.4
[M-H]- 258.14592 161.1
[M+NH4]+ 277.18702 177.8
[M+K]+ 298.11636 166.0
[M+H-H2O]+ 242.15046 157.1
[M+HCOO]- 304.15140 181.9
[M+CH3COO]- 318.16705 204.4
[M+Na-2H]- 280.12787 158.8
[M]+ 259.15265 160.2
[M]- 259.15375 160.2
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