CID 25227054

Serinyl-hydroxyproline

Structural Information

Molecular Formula
C8H14N2O5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CO)N)O
InChI
InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1
InChIKey
IISAHBYOIFITKV-SRQIZXRXSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.09027 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09755 147.3
[M+Na]+ 241.07949 151.9
[M-H]- 217.08299 144.9
[M+NH4]+ 236.12409 163.1
[M+K]+ 257.05343 150.9
[M+H-H2O]+ 201.08753 141.5
[M+HCOO]- 263.08847 162.9
[M+CH3COO]- 277.10412 182.3
[M+Na-2H]- 239.06494 144.8
[M]+ 218.08972 142.2
[M]- 218.09082 142.2
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