CID 131752352

Octoxynol 5

Structural Information

Molecular Formula
C24H42O2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCCCCCCCCO
InChI
InChI=1S/C24H42O2/c1-23(2,3)20-24(4,5)21-14-16-22(17-15-21)26-19-13-11-9-7-6-8-10-12-18-25/h14-17,25H,6-13,18-20H2,1-5H3
InChIKey
YHBHQYRDAVETGQ-UHFFFAOYSA-N
Compound name
10-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]decan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

362.31848 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.32576 199.2
[M+Na]+ 385.30770 201.5
[M-H]- 361.31120 199.5
[M+NH4]+ 380.35230 211.7
[M+K]+ 401.28164 197.1
[M+H-H2O]+ 345.31574 192.1
[M+HCOO]- 407.31668 214.5
[M+CH3COO]- 421.33233 219.1
[M+Na-2H]- 383.29315 199.8
[M]+ 362.31793 204.9
[M]- 362.31903 204.9
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