CID 53902187

Hydroxyprolyl-hydroxyproline

Structural Information

Molecular Formula
C10H16N2O5
SMILES
C1[C@H](CN[C@@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)O)O)O
InChI
InChI=1S/C10H16N2O5/c13-5-1-7(11-3-5)9(15)12-4-6(14)2-8(12)10(16)17/h5-8,11,13-14H,1-4H2,(H,16,17)/t5-,6-,7+,8+/m1/s1
InChIKey
HXWNRESJYUCPRA-NGJRWZKOSA-N
Compound name
(2S,4R)-4-hydroxy-1-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.10593 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 155.5
[M+Na]+ 267.09515 159.8
[M-H]- 243.09865 154.2
[M+NH4]+ 262.13975 170.5
[M+K]+ 283.06909 157.5
[M+H-H2O]+ 227.10319 149.4
[M+HCOO]- 289.10413 167.6
[M+CH3COO]- 303.11978 181.3
[M+Na-2H]- 265.08060 150.8
[M]+ 244.10538 148.2
[M]- 244.10648 148.2
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