CID 83911562

1781613-52-2

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CCO)CN
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-7-11(6-12,8-13)4-5-14/h14H,4-8,12H2,1-3H3
InChIKey
NERSFWYLEVRIMB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(2-hydroxyethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 160.1
[M+Na]+ 253.15226 164.0
[M-H]- 229.15576 160.1
[M+NH4]+ 248.19686 171.2
[M+K]+ 269.12620 166.3
[M+H-H2O]+ 213.16030 149.8
[M+HCOO]- 275.16124 176.2
[M+CH3COO]- 289.17689 192.6
[M+Na-2H]- 251.13771 162.5
[M]+ 230.16249 168.5
[M]- 230.16359 168.5
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.