CID 22935676

Isoleucylglutamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

259.1532 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 162.6
[M+Na]+ 282.14242 164.3
[M+NH4]+ 277.18702 164.9
[M+K]+ 298.11636 165.0
[M-H]- 258.14592 158.5
[M+Na-2H]- 280.12787 159.5
[M]+ 259.15265 160.5
[M]- 259.15375 160.5
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