CID 155822610

2503205-11-4

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C1(CNC1)CCC=C
InChI
InChI=1S/C9H15NO2/c1-3-4-5-9(6-10-7-9)8(11)12-2/h3,10H,1,4-7H2,2H3
InChIKey
HYVLDQHWBUKOMW-UHFFFAOYSA-N
Compound name
methyl 3-but-3-enylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.1
[M+Na]+ 192.09950 145.1
[M-H]- 168.10300 140.6
[M+NH4]+ 187.14410 153.9
[M+K]+ 208.07344 146.4
[M+H-H2O]+ 152.10754 130.3
[M+HCOO]- 214.10848 158.3
[M+CH3COO]- 228.12413 179.5
[M+Na-2H]- 190.08495 144.5
[M]+ 169.10973 147.8
[M]- 169.11083 147.8
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.