CID 138111929

Tert-butyl 3-ethynyl-3-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#C)OC
InChI
InChI=1S/C12H19NO3/c1-6-12(15-5)7-8-13(9-12)10(14)16-11(2,3)4/h1H,7-9H2,2-5H3
InChIKey
YKMGDNRZBAZJOM-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

225.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.7
[M+Na]+ 248.12571 160.9
[M-H]- 224.12921 152.6
[M+NH4]+ 243.17031 170.4
[M+K]+ 264.09965 158.4
[M+H-H2O]+ 208.13375 140.7
[M+HCOO]- 270.13469 165.1
[M+CH3COO]- 284.15034 194.7
[M+Na-2H]- 246.11116 154.0
[M]+ 225.13594 148.0
[M]- 225.13704 148.0
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