CID 96806

Dl-leucylglycylglycine

Structural Information

Molecular Formula
C10H19N3O4
SMILES
CC(C)CC(C(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)
InChIKey
VWHGTYCRDRBSFI-UHFFFAOYSA-N
Compound name
2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

245.13756 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14484 159.0
[M+Na]+ 268.12678 161.1
[M-H]- 244.13028 156.8
[M+NH4]+ 263.17138 173.8
[M+K]+ 284.10072 161.6
[M+H-H2O]+ 228.13482 152.2
[M+HCOO]- 290.13576 178.9
[M+CH3COO]- 304.15141 200.2
[M+Na-2H]- 266.11223 156.7
[M]+ 245.13701 156.5
[M]- 245.13811 156.5
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