CID 71722743

Schembl18065042

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC(=O)[C@@H]1CC[C@H](CN1)NOCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O3/c1-18-14(17)13-8-7-12(9-15-13)16-19-10-11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-10H2,1H3/t12-,13+/m1/s1
InChIKey
QUOAQASBSYHDJY-OLZOCXBDSA-N
Compound name
methyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

264.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 160.8
[M+Na]+ 287.13662 163.7
[M-H]- 263.14012 163.5
[M+NH4]+ 282.18122 174.3
[M+K]+ 303.11056 161.0
[M+H-H2O]+ 247.14466 152.2
[M+HCOO]- 309.14560 178.9
[M+CH3COO]- 323.16125 194.8
[M+Na-2H]- 285.12207 164.1
[M]+ 264.14685 156.8
[M]- 264.14795 156.8
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.