CID 3047642

63867-70-9

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC1=CC(=CC(=C1[N+](=O)[O-])C)OC(=O)N2CCCCC2
InChI
InChI=1S/C14H18N2O4/c1-10-8-12(9-11(2)13(10)16(18)19)20-14(17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3
InChIKey
LFBFQFBQSDLVKV-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-nitrophenyl) piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 161.8
[M+Na]+ 301.11587 174.2
[M+NH4]+ 296.16047 168.7
[M+K]+ 317.08981 171.2
[M-H]- 277.11937 165.7
[M+Na-2H]- 299.10132 167.2
[M]+ 278.12610 164.4
[M]- 278.12720 164.4
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.