CID 196305

Lys-gln

Structural Information

Molecular Formula
C11H22N4O4
SMILES
C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1
InChIKey
OAPNERBWQWUPTI-YUMQZZPRSA-N
Compound name
(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1274
Patents

274.1641 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17138 165.7
[M+Na]+ 297.15332 166.1
[M+NH4]+ 292.19792 167.4
[M+K]+ 313.12726 166.7
[M-H]- 273.15682 161.8
[M+Na-2H]- 295.13877 162.2
[M]+ 274.16355 163.4
[M]- 274.16465 163.4
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