CID 112281

1-azetidinepropanoic acid, butyl ester

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCCCOC(=O)CCN1CCC1
InChI
InChI=1S/C10H19NO2/c1-2-3-9-13-10(12)5-8-11-6-4-7-11/h2-9H2,1H3
InChIKey
BGZYXSKAJHLLNR-UHFFFAOYSA-N
Compound name
butyl 3-(azetidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.0
[M+Na]+ 208.13081 146.9
[M-H]- 184.13431 144.3
[M+NH4]+ 203.17541 155.0
[M+K]+ 224.10475 149.4
[M+H-H2O]+ 168.13885 131.4
[M+HCOO]- 230.13979 162.2
[M+CH3COO]- 244.15544 186.4
[M+Na-2H]- 206.11626 146.5
[M]+ 185.14104 153.4
[M]- 185.14214 153.4
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.