CID 7010527

N-acetylglycyl-l-leucine

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)C
InChI
InChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12-9(14)5-11-7(3)13/h6,8H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t8-/m0/s1
InChIKey
QXMNNNAFUOZTQZ-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

230.12666 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 155.0
[M+Na]+ 253.115878 158.1
[M-H]- 229.119384 153.4
[M+NH4]+ 248.160483 171.1
[M+K]+ 269.089818 158.6
[M+H-H2O]+ 213.123920 148.9
[M+HCOO]- 275.124861 174.6
[M+CH3COO]- 289.140511 195.3
[M+Na-2H]- 251.101326 153.6
[M]+ 230.12611142 154.4
[M]- 230.12720858 154.4
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