CID 138040448

2247105-78-6

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)C(C)(C)O
InChI
InChI=1S/C12H24N2O3/c1-10(2,3)17-9(15)14-7-12(6-13,8-14)11(4,5)16/h16H,6-8,13H2,1-5H3
InChIKey
GHGFPUYFECRLRQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(2-hydroxypropan-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 164.7
[M+Na]+ 267.16792 168.5
[M-H]- 243.17142 164.8
[M+NH4]+ 262.21252 175.4
[M+K]+ 283.14186 171.1
[M+H-H2O]+ 227.17596 155.1
[M+HCOO]- 289.17690 178.9
[M+CH3COO]- 303.19255 196.0
[M+Na-2H]- 265.15337 167.6
[M]+ 244.17815 172.9
[M]- 244.17925 172.9
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.