CID 92035818

37205-87-1

Structural Information

Molecular Formula
C17H28O
SMILES
CCOC1=CC=C(C=C1)CCCCCCC(C)C
InChI
InChI=1S/C17H28O/c1-4-18-17-13-11-16(12-14-17)10-8-6-5-7-9-15(2)3/h11-15H,4-10H2,1-3H3
InChIKey
IRTXCPKNZUZNMH-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(7-methyloctyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

24
Patents

248.21402 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 164.2
[M+Na]+ 271.203238 168.9
[M-H]- 247.206744 166.7
[M+NH4]+ 266.247843 181.8
[M+K]+ 287.177178 166.0
[M+H-H2O]+ 231.211280 157.3
[M+HCOO]- 293.212221 185.3
[M+CH3COO]- 307.227871 199.5
[M+Na-2H]- 269.188686 166.1
[M]+ 248.21347142 168.2
[M]- 248.21456858 168.2
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

patents stripe