CID 129628046

Tributylcresylbutane

Structural Information

Molecular Formula
C23H40
SMILES
CCCCC(CCCC)(CCCC)CCCC1=CC=C(C=C1)C
InChI
InChI=1S/C23H40/c1-5-8-17-23(18-9-6-2,19-10-7-3)20-11-12-22-15-13-21(4)14-16-22/h13-16H,5-12,17-20H2,1-4H3
InChIKey
NBHVVENXRUZMHQ-UHFFFAOYSA-N
Compound name
1-(4,4-dibutyloctyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.313 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.32028 187.6
[M+Na]+ 339.30222 190.5
[M-H]- 315.30572 189.2
[M+NH4]+ 334.34682 202.7
[M+K]+ 355.27616 185.5
[M+H-H2O]+ 299.31026 180.2
[M+HCOO]- 361.31120 205.9
[M+CH3COO]- 375.32685 215.2
[M+Na-2H]- 337.28767 188.2
[M]+ 316.31245 192.6
[M]- 316.31355 192.6
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

No patent data available for this compound.