CID 7015685

17105-15-6

Structural Information

Molecular Formula
C11H21N3O5
SMILES
C(CCNC(=O)CC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H21N3O5/c12-7(10(16)17)3-1-2-6-14-9(15)5-4-8(13)11(18)19/h7-8H,1-6,12-13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKey
JPKNLFVGUZRHOB-YUMQZZPRSA-N
Compound name
(2S)-2-amino-6-[[(4S)-4-amino-4-carboxybutanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

110
References

928
Patents

275.14813 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15541 165.0
[M+Na]+ 298.13735 165.9
[M+NH4]+ 293.18195 166.4
[M+K]+ 314.11129 166.7
[M-H]- 274.14085 160.0
[M+Na-2H]- 296.12280 161.1
[M]+ 275.14758 162.4
[M]- 275.14868 162.4
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