CID 132992803

Tert-butyl 3-(1-aminoethyl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C1(CN(C1)C(=O)OC(C)(C)C)O)N
InChI
InChI=1S/C10H20N2O3/c1-7(11)10(14)5-12(6-10)8(13)15-9(2,3)4/h7,14H,5-6,11H2,1-4H3
InChIKey
DWAOVJFBCVYNJK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-aminoethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

216.1474 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 156.8
[M+Na]+ 239.136618 160.8
[M-H]- 215.140124 157.1
[M+NH4]+ 234.181223 168.4
[M+K]+ 255.110558 163.9
[M+H-H2O]+ 199.144660 146.8
[M+HCOO]- 261.145601 172.2
[M+CH3COO]- 275.161251 190.6
[M+Na-2H]- 237.122066 158.4
[M]+ 216.14685142 164.2
[M]- 216.14794858 164.2
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

patents stripe