CID 97364

Leu-gly

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey
LESXFEZIFXFIQR-LURJTMIESA-N
Compound name
2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

67
References

8426
Patents

188.11609 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 145.0
[M+Na]+ 211.105308 148.8
[M-H]- 187.108814 143.1
[M+NH4]+ 206.149913 162.7
[M+K]+ 227.079248 149.0
[M+H-H2O]+ 171.113350 139.2
[M+HCOO]- 233.114291 165.1
[M+CH3COO]- 247.129941 187.1
[M+Na-2H]- 209.090756 144.6
[M]+ 188.11554142 142.5
[M]- 188.11663858 142.5
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