CID 88804

(2s,4r)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
InChIKey
BENKAPCDIOILGV-RQJHMYQMSA-N
Compound name
(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4876
Patents

231.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 151.2
[M+Na]+ 254.09989 157.3
[M-H]- 230.10339 150.8
[M+NH4]+ 249.14449 168.4
[M+K]+ 270.07383 156.9
[M+H-H2O]+ 214.10793 146.4
[M+HCOO]- 276.10887 166.8
[M+CH3COO]- 290.12452 183.8
[M+Na-2H]- 252.08534 151.3
[M]+ 231.11012 150.6
[M]- 231.11122 150.6
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