CID 10798587

Tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)O)C#N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,5-6H2,1-3H3
InChIKey
IEGAWSYJCQMVBM-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

212.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 148.4
[M+Na]+ 235.105308 156.9
[M-H]- 211.108814 149.2
[M+NH4]+ 230.149913 165.3
[M+K]+ 251.079248 155.6
[M+H-H2O]+ 195.113350 136.4
[M+HCOO]- 257.114291 162.9
[M+CH3COO]- 271.129941 195.2
[M+Na-2H]- 233.090756 149.8
[M]+ 212.11554142 143.0
[M]- 212.11663858 143.0
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