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

124
Patents

212.11609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.4
[M+Na]+ 235.10531 156.9
[M-H]- 211.10881 149.2
[M+NH4]+ 230.14991 165.3
[M+K]+ 251.07925 155.6
[M+H-H2O]+ 195.11335 136.4
[M+HCOO]- 257.11429 162.9
[M+CH3COO]- 271.12994 195.2
[M+Na-2H]- 233.09076 149.8
[M]+ 212.11554 143.0
[M]- 212.11664 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