CID 14842624

(2s,4s)-4-amino-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

230.12666 Da
Monoisotopic Mass

-2.3
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

literature stripe

Patent stripe

patents stripe