CID 154002460

(2s)-6-amino-2-(4-carboxybutanamido)hexanoic acid

Structural Information

Molecular Formula
C11H20N2O5
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H20N2O5/c12-7-2-1-4-8(11(17)18)13-9(14)5-3-6-10(15)16/h8H,1-7,12H2,(H,13,14)(H,15,16)(H,17,18)/t8-/m0/s1
InChIKey
ALFYDLRXVDLIHC-QMMMGPOBSA-N
Compound name
(2S)-6-amino-2-(4-carboxybutanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

260.1372 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 161.7
[M+Na]+ 283.126418 163.8
[M-H]- 259.129924 157.7
[M+NH4]+ 278.171023 175.4
[M+K]+ 299.100358 163.0
[M+H-H2O]+ 243.134460 155.1
[M+HCOO]- 305.135401 179.9
[M+CH3COO]- 319.151051 197.3
[M+Na-2H]- 281.111866 159.5
[M]+ 260.13665142 160.6
[M]- 260.13774858 160.6
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

patents stripe