CID 165894845

Tert-butyl 3-ethylazetidine-3-carboxylate

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCC1(CNC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO2/c1-5-10(6-11-7-10)8(12)13-9(2,3)4/h11H,5-7H2,1-4H3
InChIKey
NWZPQLXIIYLHBI-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 146.6
[M+Na]+ 208.13081 151.5
[M-H]- 184.13431 147.3
[M+NH4]+ 203.17541 160.1
[M+K]+ 224.10475 153.6
[M+H-H2O]+ 168.13885 137.4
[M+HCOO]- 230.13979 162.8
[M+CH3COO]- 244.15544 183.0
[M+Na-2H]- 206.11626 151.2
[M]+ 185.14104 154.9
[M]- 185.14214 154.9
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.