CID 84059713

Tert-butyl 3-[(3-aminopropoxy)methyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)COCCCN
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-10(8-14)9-16-6-4-5-13/h10H,4-9,13H2,1-3H3
InChIKey
QQVCOABVWXWSEW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminopropoxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 162.5
[M+Na]+ 267.16792 165.6
[M-H]- 243.17142 163.4
[M+NH4]+ 262.21252 171.8
[M+K]+ 283.14186 168.3
[M+H-H2O]+ 227.17596 150.3
[M+HCOO]- 289.17690 179.9
[M+CH3COO]- 303.19255 198.4
[M+Na-2H]- 265.15337 163.8
[M]+ 244.17815 172.8
[M]- 244.17925 172.8
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.