CID 68751866

Tert-butyl 3-(4-aminobutyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCCN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-10(9-14)6-4-5-7-13/h10H,4-9,13H2,1-3H3
InChIKey
ARXILKDHBYZMHT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-aminobutyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 160.4
[M+Na]+ 251.17300 163.7
[M-H]- 227.17650 161.3
[M+NH4]+ 246.21760 170.4
[M+K]+ 267.14694 165.9
[M+H-H2O]+ 211.18104 148.4
[M+HCOO]- 273.18198 177.5
[M+CH3COO]- 287.19763 196.4
[M+Na-2H]- 249.15845 161.5
[M]+ 228.18323 169.3
[M]- 228.18433 169.3
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

patents stripe