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 158.6
[M+Na]+ 281.11080 162.6
[M-H]- 257.11430 157.0
[M+NH4]+ 276.15540 173.4
[M+K]+ 297.08474 161.1
[M+H-H2O]+ 241.11884 152.1
[M+HCOO]- 303.11978 174.9
[M+CH3COO]- 317.13543 193.3
[M+Na-2H]- 279.09625 155.2
[M]+ 258.12103 155.8
[M]- 258.12213 155.8
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

No patent data available for this compound.