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

1246
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 166.0
[M+Na]+ 297.15332 166.7
[M-H]- 273.15682 162.5
[M+NH4]+ 292.19792 178.5
[M+K]+ 313.12726 166.7
[M+H-H2O]+ 257.16136 158.3
[M+HCOO]- 319.16230 185.2
[M+CH3COO]- 333.17795 208.5
[M+Na-2H]- 295.13877 161.5
[M]+ 274.16355 161.0
[M]- 274.16465 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.