CID 3043781

Leucine, n-salicyloyl-

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C13H17NO4/c1-8(2)7-10(13(17)18)14-12(16)9-5-3-4-6-11(9)15/h3-6,8,10,15H,7H2,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1
InChIKey
ZLFWKARDOQUBNX-JTQLQIEISA-N
Compound name
(2S)-2-[(2-hydroxybenzoyl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 157.9
[M+Na]+ 274.10497 165.8
[M+NH4]+ 269.14957 162.8
[M+K]+ 290.07891 163.3
[M-H]- 250.10847 156.9
[M+Na-2H]- 272.09042 160.3
[M]+ 251.11520 158.2
[M]- 251.11630 158.2
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