CID 84080288

En300-1876648

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(CCC1CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H24N2O2/c1-9(13)5-6-10-7-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKey
PYSNTJCDZYIDGG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminobutyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 161.7
[M+Na]+ 251.17300 164.7
[M-H]- 227.17650 162.8
[M+NH4]+ 246.21760 171.7
[M+K]+ 267.14694 167.4
[M+H-H2O]+ 211.18104 149.8
[M+HCOO]- 273.18198 177.9
[M+CH3COO]- 287.19763 197.3
[M+Na-2H]- 249.15845 161.5
[M]+ 228.18323 169.9
[M]- 228.18433 169.9
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.