CID 7021818

L-leu-l-met-nh2

Structural Information

Molecular Formula
C11H23N3O2S
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N
InChI
InChI=1S/C11H23N3O2S/c1-7(2)6-8(12)11(16)14-9(10(13)15)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16)/t8-,9-/m0/s1
InChIKey
FMHTVEOMIPKKJG-IUCAKERBSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

261.1511 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15838 165.4
[M+Na]+ 284.14032 166.7
[M-H]- 260.14382 163.4
[M+NH4]+ 279.18492 180.4
[M+K]+ 300.11426 165.4
[M+H-H2O]+ 244.14836 158.0
[M+HCOO]- 306.14930 179.1
[M+CH3COO]- 320.16495 205.7
[M+Na-2H]- 282.12577 159.7
[M]+ 261.15055 164.0
[M]- 261.15165 164.0
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