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

26
Patents

216.1474 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 156.8
[M+Na]+ 239.13662 160.8
[M-H]- 215.14012 157.1
[M+NH4]+ 234.18122 168.4
[M+K]+ 255.11056 163.9
[M+H-H2O]+ 199.14466 146.8
[M+HCOO]- 261.14560 172.2
[M+CH3COO]- 275.16125 190.6
[M+Na-2H]- 237.12207 158.4
[M]+ 216.14685 164.2
[M]- 216.14795 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