CID 40461050

369623-85-8

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
OSQJCAMJAGJCSX-BQBZGAKWSA-N
Compound name
(3S,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 152.5
[M+Na]+ 253.115878 158.2
[M-H]- 229.119384 152.9
[M+NH4]+ 248.160483 169.9
[M+K]+ 269.089818 157.8
[M+H-H2O]+ 213.123920 147.1
[M+HCOO]- 275.124861 169.8
[M+CH3COO]- 289.140511 188.6
[M+Na-2H]- 251.101326 152.2
[M]+ 230.12611142 150.5
[M]- 230.12720858 150.5
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

patents stripe