CID 155943301

2613385-39-8

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1(CN(C1C#C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H19NO2/c1-7-9-12(5,6)8-13(9)10(14)15-11(2,3)4/h1,9H,8H2,2-6H3
InChIKey
YKVAADVWXRVKMN-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethynyl-3,3-dimethylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 145.0
[M+Na]+ 232.130808 153.3
[M-H]- 208.134314 146.7
[M+NH4]+ 227.175413 157.4
[M+K]+ 248.104748 155.5
[M+H-H2O]+ 192.138850 130.9
[M+HCOO]- 254.139791 157.4
[M+CH3COO]- 268.155441 198.5
[M+Na-2H]- 230.116256 147.9
[M]+ 209.14104142 149.7
[M]- 209.14213858 149.7
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