CID 117797

1-nonylnaphthalene

Structural Information

Molecular Formula
C19H26
SMILES
CCCCCCCCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C19H26/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h9-11,13-16H,2-8,12H2,1H3
InChIKey
AZLNHMGSTZDDIY-UHFFFAOYSA-N
Compound name
1-nonylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

460
Patents

254.20345 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.21073 164.0
[M+Na]+ 277.19267 169.4
[M-H]- 253.19617 167.2
[M+NH4]+ 272.23727 182.2
[M+K]+ 293.16661 164.2
[M+H-H2O]+ 237.20071 156.6
[M+HCOO]- 299.20165 185.0
[M+CH3COO]- 313.21730 200.1
[M+Na-2H]- 275.17812 169.2
[M]+ 254.20290 166.4
[M]- 254.20400 166.4
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