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]+ 245.185976 164.7
[M+Na]+ 267.167918 168.5
[M-H]- 243.171424 164.8
[M+NH4]+ 262.212523 175.4
[M+K]+ 283.141858 171.1
[M+H-H2O]+ 227.175960 155.1
[M+HCOO]- 289.176901 178.9
[M+CH3COO]- 303.192551 196.0
[M+Na-2H]- 265.153366 167.6
[M]+ 244.17815142 172.9
[M]- 244.17924858 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.