CID 138991221

2309462-06-2

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC1(CN(C1)C(=O)OCC2=CC=CC=C2)CCN
InChI
InChI=1S/C14H20N2O3/c1-18-14(7-8-15)10-16(11-14)13(17)19-9-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChIKey
ZIEQLBBQNXNOFY-UHFFFAOYSA-N
Compound name
benzyl 3-(2-aminoethyl)-3-methoxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.0
[M+Na]+ 287.13662 167.2
[M-H]- 263.14012 167.2
[M+NH4]+ 282.18122 172.9
[M+K]+ 303.11056 168.6
[M+H-H2O]+ 247.14466 150.0
[M+HCOO]- 309.14560 182.9
[M+CH3COO]- 323.16125 199.7
[M+Na-2H]- 285.12207 166.4
[M]+ 264.14685 172.5
[M]- 264.14795 172.5
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.