CID 155978268

Tert-butyl 2-ethenyl-3,3-dimethylazetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC1(CN(C1C=C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO2/c1-7-9-12(5,6)8-13(9)10(14)15-11(2,3)4/h7,9H,1,8H2,2-6H3
InChIKey
PSUXRUBGPFNJKH-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethenyl-3,3-dimethylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 151.1
[M+Na]+ 234.14645 157.7
[M-H]- 210.14995 153.7
[M+NH4]+ 229.19105 164.9
[M+K]+ 250.12039 159.7
[M+H-H2O]+ 194.15449 142.2
[M+HCOO]- 256.15543 168.3
[M+CH3COO]- 270.17108 192.2
[M+Na-2H]- 232.13190 154.1
[M]+ 211.15668 162.0
[M]- 211.15778 162.0
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.