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]+ 225.15976 151.9
[M+Na]+ 247.14170 158.3
[M-H]- 223.14520 154.1
[M+NH4]+ 242.18630 163.4
[M+K]+ 263.11564 161.8
[M+H-H2O]+ 207.14974 136.3
[M+HCOO]- 269.15068 165.2
[M+CH3COO]- 283.16633 204.7
[M+Na-2H]- 245.12715 154.4
[M]+ 224.15193 156.4
[M]- 224.15303 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.