CID 17750460

273221-94-6

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)C#N
InChI
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-6-7(5-12)4-8(13)9(14)15/h7-8H,4,6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChIKey
MIVXQYMYEMUMKK-YUMQZZPRSA-N
Compound name
(2S,4R)-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

240.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 154.7
[M+Na]+ 263.100228 162.6
[M-H]- 239.103734 155.4
[M+NH4]+ 258.144833 170.3
[M+K]+ 279.074168 161.6
[M+H-H2O]+ 223.108270 142.6
[M+HCOO]- 285.109211 168.4
[M+CH3COO]- 299.124861 199.8
[M+Na-2H]- 261.085676 154.7
[M]+ 240.11046142 149.7
[M]- 240.11155858 149.7
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