CID 69247902

Gamma-l-glutamyl-l-pipecolic acid

Structural Information

Molecular Formula
C11H18N2O5
SMILES
C1CCN(C(C1)C(=O)O)C(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H18N2O5/c12-7(10(15)16)4-5-9(14)13-6-2-1-3-8(13)11(17)18/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
InChIKey
MNEBDCWSYIPUDZ-UHFFFAOYSA-N
Compound name
1-(4-amino-4-carboxybutanoyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 158.3
[M+Na]+ 281.11080 160.5
[M-H]- 257.11430 156.1
[M+NH4]+ 276.15540 171.0
[M+K]+ 297.08474 159.7
[M+H-H2O]+ 241.11884 151.5
[M+HCOO]- 303.11978 171.6
[M+CH3COO]- 317.13543 192.9
[M+Na-2H]- 279.09625 155.5
[M]+ 258.12103 152.6
[M]- 258.12213 152.6
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