CID 774282

Furoyl-leucine

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CO1
InChI
InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
LXBURZIESWDWIV-QMMMGPOBSA-N
Compound name
(2S)-2-(furan-2-carbonylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

225.10011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 153.0
[M+Na]+ 248.089328 157.5
[M-H]- 224.092834 155.6
[M+NH4]+ 243.133933 170.0
[M+K]+ 264.063268 158.0
[M+H-H2O]+ 208.097370 146.9
[M+HCOO]- 270.098311 173.4
[M+CH3COO]- 284.113961 189.1
[M+Na-2H]- 246.074776 153.6
[M]+ 225.09956142 153.9
[M]- 225.10065858 153.9
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