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

15
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 160.4
[M+Na]+ 251.172998 163.7
[M-H]- 227.176504 161.3
[M+NH4]+ 246.217603 170.4
[M+K]+ 267.146938 165.9
[M+H-H2O]+ 211.181040 148.4
[M+HCOO]- 273.181981 177.5
[M+CH3COO]- 287.197631 196.4
[M+Na-2H]- 249.158446 161.5
[M]+ 228.18323142 169.3
[M]- 228.18432858 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