CID 6993118

H-val-leu-oh

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKey
XCTHZFGSVQBHBW-IUCAKERBSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1934
Patents

230.16304 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 157.4
[M+Na]+ 253.15226 161.1
[M+NH4]+ 248.19686 161.2
[M+K]+ 269.12620 160.6
[M-H]- 229.15576 154.0
[M+Na-2H]- 251.13771 155.5
[M]+ 230.16249 156.1
[M]- 230.16359 156.1
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