CID 61161456

Hydroxyprolyl-glutamate

Structural Information

Molecular Formula
C10H16N2O6
SMILES
C1C(CNC1C(=O)NC(CCC(=O)O)C(=O)O)O
InChI
InChI=1S/C10H16N2O6/c13-5-3-7(11-4-5)9(16)12-6(10(17)18)1-2-8(14)15/h5-7,11,13H,1-4H2,(H,12,16)(H,14,15)(H,17,18)
InChIKey
ZVPLGKIMIRTBMQ-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10083 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10811 157.5
[M+Na]+ 283.09005 159.7
[M-H]- 259.09355 153.5
[M+NH4]+ 278.13465 170.6
[M+K]+ 299.06399 158.4
[M+H-H2O]+ 243.09809 151.2
[M+HCOO]- 305.09903 170.9
[M+CH3COO]- 319.11468 187.8
[M+Na-2H]- 281.07550 154.3
[M]+ 260.10028 152.0
[M]- 260.10138 152.0
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

No patent data available for this compound.