CID 70912

N-acetyl-l-leucine

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
WXNXCEHXYPACJF-ZETCQYMHSA-N
Compound name
(2S)-2-acetamido-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

94
References

6375
Patents

173.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 140.1
[M+Na]+ 196.09442 146.7
[M+NH4]+ 191.13902 145.4
[M+K]+ 212.06836 144.6
[M-H]- 172.09792 137.3
[M+Na-2H]- 194.07987 140.6
[M]+ 173.10465 139.6
[M]- 173.10575 139.6
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