CID 138112214

Tert-butyl 3-ethynyl-3-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1(CCN(C1)C(=O)OC(C)(C)C)C#C
InChI
InChI=1S/C12H19NO2/c1-6-12(5)7-8-13(9-12)10(14)15-11(2,3)4/h1H,7-9H2,2-5H3
InChIKey
XABXFOQDOYKTHU-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

209.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.5
[M+Na]+ 232.13081 158.8
[M-H]- 208.13431 150.5
[M+NH4]+ 227.17541 168.8
[M+K]+ 248.10475 155.8
[M+H-H2O]+ 192.13885 138.6
[M+HCOO]- 254.13979 162.7
[M+CH3COO]- 268.15544 192.9
[M+Na-2H]- 230.11626 151.6
[M]+ 209.14104 144.4
[M]- 209.14214 144.4
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