CID 155820462

2567502-88-7

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#C)N(C)C
InChI
InChI=1S/C12H20N2O2/c1-7-12(13(5)6)8-14(9-12)10(15)16-11(2,3)4/h1H,8-9H2,2-6H3
InChIKey
WUTCTEMFGKZASM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(dimethylamino)-3-ethynylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 151.9
[M+Na]+ 247.141698 158.3
[M-H]- 223.145204 154.1
[M+NH4]+ 242.186303 163.4
[M+K]+ 263.115638 161.8
[M+H-H2O]+ 207.149740 136.3
[M+HCOO]- 269.150681 165.2
[M+CH3COO]- 283.166331 204.7
[M+Na-2H]- 245.127146 154.4
[M]+ 224.15193142 156.4
[M]- 224.15302858 156.4
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

No patent data available for this compound.