CID 14126

1-phenylnonane

Structural Information

Molecular Formula
C15H24
SMILES
CCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKey
LIXVMPBOGDCSRM-UHFFFAOYSA-N
Compound name
nonylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

11491
Patents

204.1878 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.4
[M+Na]+ 227.17702 156.3
[M-H]- 203.18052 153.9
[M+NH4]+ 222.22162 170.6
[M+K]+ 243.15096 153.0
[M+H-H2O]+ 187.18506 144.9
[M+HCOO]- 249.18600 174.0
[M+CH3COO]- 263.20165 189.8
[M+Na-2H]- 225.16247 156.5
[M]+ 204.18725 153.5
[M]- 204.18835 153.5
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