CID 4427708

4-nitrophenyl decanoate

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3
InChIKey
RRNKCSIEGPOIKI-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

589
Patents

293.16272 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.8
[M+Na]+ 316.15194 181.0
[M+NH4]+ 311.19654 176.0
[M+K]+ 332.12588 176.7
[M-H]- 292.15544 171.9
[M+Na-2H]- 314.13739 173.8
[M]+ 293.16217 171.7
[M]- 293.16327 171.7
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

patents stripe