CID 144094

65039-18-1

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3
InChIKey
VZOAOBWVYOLSII-UHFFFAOYSA-N
Compound name
1-dodecoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

307.21475 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 180.5
[M+Na]+ 330.20397 183.7
[M-H]- 306.20747 182.5
[M+NH4]+ 325.24857 194.6
[M+K]+ 346.17791 176.3
[M+H-H2O]+ 290.21201 177.2
[M+HCOO]- 352.21295 203.3
[M+CH3COO]- 366.22860 203.3
[M+Na-2H]- 328.18942 183.7
[M]+ 307.21420 184.3
[M]- 307.21530 184.3
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.