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

67
Patents

240.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 151.7
[M+Na]+ 263.10023 158.3
[M+NH4]+ 258.14483 153.2
[M+K]+ 279.07417 155.0
[M-H]- 239.10373 141.8
[M+Na-2H]- 261.08568 150.0
[M]+ 240.11046 148.5
[M]- 240.11156 148.5
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