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

22
Patents

209.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 149.5
[M+Na]+ 232.130808 158.8
[M-H]- 208.134314 150.5
[M+NH4]+ 227.175413 168.8
[M+K]+ 248.104748 155.8
[M+H-H2O]+ 192.138850 138.6
[M+HCOO]- 254.139791 162.7
[M+CH3COO]- 268.155441 192.9
[M+Na-2H]- 230.116256 151.6
[M]+ 209.14104142 144.4
[M]- 209.14213858 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