CID 92843

Glycyl-l-leucine

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

88
References

8980
Patents

188.11609 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 145.0
[M+Na]+ 211.10531 148.8
[M-H]- 187.10881 143.1
[M+NH4]+ 206.14991 162.7
[M+K]+ 227.07925 149.0
[M+H-H2O]+ 171.11335 139.2
[M+HCOO]- 233.11429 165.1
[M+CH3COO]- 247.12994 187.1
[M+Na-2H]- 209.09076 144.6
[M]+ 188.11554 142.5
[M]- 188.11664 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