CID 3563697

Prolyl-glutamate

Structural Information

Molecular Formula
C10H16N2O5
SMILES
C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)
InChIKey
QLROSWPKSBORFJ-UHFFFAOYSA-N
Compound name
2-(pyrrolidine-2-carbonylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

244.10593 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 155.6
[M+Na]+ 267.09515 157.5
[M-H]- 243.09865 152.7
[M+NH4]+ 262.13975 169.9
[M+K]+ 283.06909 156.3
[M+H-H2O]+ 227.10319 148.9
[M+HCOO]- 289.10413 170.4
[M+CH3COO]- 303.11978 186.3
[M+Na-2H]- 265.08060 153.3
[M]+ 244.10538 150.1
[M]- 244.10648 150.1
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