CID 65784

Oxaceprol

Structural Information

Molecular Formula
C7H11NO4
SMILES
CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O
InChI
InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1
InChIKey
BAPRUDZDYCKSOQ-RITPCOANSA-N
Compound name
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

45
References

8394
Patents

173.0688 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 135.5
[M+Na]+ 196.058018 142.5
[M-H]- 172.061524 135.2
[M+NH4]+ 191.102623 154.9
[M+K]+ 212.031958 141.7
[M+H-H2O]+ 156.066060 130.4
[M+HCOO]- 218.067001 153.4
[M+CH3COO]- 232.082651 173.5
[M+Na-2H]- 194.043466 135.8
[M]+ 173.06825142 133.0
[M]- 173.06934858 133.0
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