CID 105487013

Tert-butyl 3-(aminomethyl)-3-(dimethylamino)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H23N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)N(C)C
InChI
InChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-7-11(6-12,8-14)13(4)5/h6-8,12H2,1-5H3
InChIKey
KTCYNFWONDQIPE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(dimethylamino)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.17903 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.18631 161.4
[M+Na]+ 252.16825 164.9
[M-H]- 228.17175 164.1
[M+NH4]+ 247.21285 173.5
[M+K]+ 268.14219 169.1
[M+H-H2O]+ 212.17629 150.2
[M+HCOO]- 274.17723 180.1
[M+CH3COO]- 288.19288 201.3
[M+Na-2H]- 250.15370 163.6
[M]+ 229.17848 170.5
[M]- 229.17958 170.5
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.