CID 41474

N-nitrosomethylphenidate

Structural Information

Molecular Formula
C14H18N2O3
SMILES
COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2
InChI
InChI=1S/C14H18N2O3/c1-19-14(17)13(11-7-3-2-4-8-11)12-9-5-6-10-16(12)15-18/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKey
QGSDAATWYASQKL-UHFFFAOYSA-N
Compound name
methyl 2-(1-nitrosopiperidin-2-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 159.4
[M+Na]+ 285.12096 163.2
[M-H]- 261.12446 165.0
[M+NH4]+ 280.16556 174.2
[M+K]+ 301.09490 162.1
[M+H-H2O]+ 245.12900 150.4
[M+HCOO]- 307.12994 179.7
[M+CH3COO]- 321.14559 199.9
[M+Na-2H]- 283.10641 162.4
[M]+ 262.13119 157.8
[M]- 262.13229 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.