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]+ 230.186306 161.4
[M+Na]+ 252.168248 164.9
[M-H]- 228.171754 164.1
[M+NH4]+ 247.212853 173.5
[M+K]+ 268.142188 169.1
[M+H-H2O]+ 212.176290 150.2
[M+HCOO]- 274.177231 180.1
[M+CH3COO]- 288.192881 201.3
[M+Na-2H]- 250.153696 163.6
[M]+ 229.17848142 170.5
[M]- 229.17957858 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.