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

15
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

literature stripe

Patent stripe

patents stripe