CID 392404

Nsc692768

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)NOC
InChI
InChI=1S/C14H21NO3/c1-3-4-5-6-11-18-13-9-7-12(8-10-13)14(16)15-17-2/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKey
QJDMTYORZDWWHW-UHFFFAOYSA-N
Compound name
4-hexoxy-N-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.5
[M+Na]+ 274.14137 164.7
[M-H]- 250.14487 162.5
[M+NH4]+ 269.18597 176.4
[M+K]+ 290.11531 163.0
[M+H-H2O]+ 234.14941 152.2
[M+HCOO]- 296.15035 183.3
[M+CH3COO]- 310.16600 197.8
[M+Na-2H]- 272.12682 163.3
[M]+ 251.15160 163.7
[M]- 251.15270 163.7
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

No patent data available for this compound.