CID 379495

Nsc664156

Structural Information

Molecular Formula
C24H42O2
SMILES
CCCCCCCCCC1=CC(=C(C=C1CCCCCCCCC)O)O
InChI
InChI=1S/C24H42O2/c1-3-5-7-9-11-13-15-17-21-19-23(25)24(26)20-22(21)18-16-14-12-10-8-6-4-2/h19-20,25-26H,3-18H2,1-2H3
InChIKey
FFJABUWUTYNPHD-UHFFFAOYSA-N
Compound name
4,5-di(nonyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.31848 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.32576 198.2
[M+Na]+ 385.30770 201.0
[M-H]- 361.31120 197.1
[M+NH4]+ 380.35230 210.2
[M+K]+ 401.28164 194.7
[M+H-H2O]+ 345.31574 190.5
[M+HCOO]- 407.31668 215.0
[M+CH3COO]- 421.33233 218.6
[M+Na-2H]- 383.29315 195.2
[M]+ 362.31793 203.8
[M]- 362.31903 203.8
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.