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 154.7
[M+Na]+ 263.10023 162.6
[M-H]- 239.10373 155.4
[M+NH4]+ 258.14483 170.3
[M+K]+ 279.07417 161.6
[M+H-H2O]+ 223.10827 142.6
[M+HCOO]- 285.10921 168.4
[M+CH3COO]- 299.12486 199.8
[M+Na-2H]- 261.08568 154.7
[M]+ 240.11046 149.7
[M]- 240.11156 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