CID 7019083

Ile-leu

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](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)/t8-,9-,10-/m0/s1
InChIKey
JWBXCSQZLLIOCI-GUBZILKMSA-N
Compound name
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2609
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.