CID 131752421

(2s,2's)-pyrosaccharopine

Structural Information

Molecular Formula
C11H18N2O5
SMILES
C1CC(=O)N(C1C(=O)O)CCCCC(C(=O)O)N
InChI
InChI=1S/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
InChIKey
KZGLERZNBKMMPP-UHFFFAOYSA-N
Compound name
1-(5-amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.12158 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 159.3
[M+Na]+ 281.11080 163.3
[M+NH4]+ 276.15540 162.3
[M+K]+ 297.08474 164.4
[M-H]- 257.11430 155.4
[M+Na-2H]- 279.09625 157.2
[M]+ 258.12103 157.8
[M]- 258.12213 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.