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 163.1
[M+Na]+ 301.11587 167.8
[M-H]- 277.11937 168.0
[M+NH4]+ 296.16047 176.7
[M+K]+ 317.08981 161.8
[M+H-H2O]+ 261.12391 159.4
[M+HCOO]- 323.12485 182.5
[M+CH3COO]- 337.14050 193.2
[M+Na-2H]- 299.10132 166.4
[M]+ 278.12610 159.7
[M]- 278.12720 159.7
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