CID 45480617

Gamma-d-glu-mdap

Structural Information

Molecular Formula
C12H21N3O7
SMILES
C(C[C@@H](C(=O)O)N)C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N
InChI
InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1
InChIKey
QIFGMZZTJRULMA-XLPZGREQSA-N
Compound name
(2S,6R)-2-amino-6-[[(4R)-4-amino-4-carboxybutanoyl]amino]heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

51
References

626
Patents

319.13794 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14522 172.5
[M+Na]+ 342.12716 171.1
[M+NH4]+ 337.17176 188.8
[M+K]+ 358.10110 188.3
[M-H]- 318.13066 165.2
[M+Na-2H]- 340.11261 166.3
[M]+ 319.13739 168.7
[M]- 319.13849 168.7
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