CID 13817313

Isoleucylleucine

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N
InChI
InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
InChIKey
JWBXCSQZLLIOCI-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2076
Patents

244.1787 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 163.7
[M+Na]+ 267.16792 165.5
[M-H]- 243.17142 161.3
[M+NH4]+ 262.21252 179.0
[M+K]+ 283.14186 165.9
[M+H-H2O]+ 227.17596 157.5
[M+HCOO]- 289.17690 180.5
[M+CH3COO]- 303.19255 201.1
[M+Na-2H]- 265.15337 158.7
[M]+ 244.17815 161.5
[M]- 244.17925 161.5
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