CID 151023

Gamma-glu-leu

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKey
MYFMARDICOWMQP-YUMQZZPRSA-N
Compound name
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

665
Patents

260.1372 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 162.5
[M+Na]+ 283.12642 164.3
[M-H]- 259.12992 158.7
[M+NH4]+ 278.17102 176.1
[M+K]+ 299.10036 164.7
[M+H-H2O]+ 243.13446 156.2
[M+HCOO]- 305.13540 178.8
[M+CH3COO]- 319.15105 199.4
[M+Na-2H]- 281.11187 157.8
[M]+ 260.13665 160.1
[M]- 260.13775 160.1
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