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
3
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 164.2
[M+Na]+ 271.20324 168.9
[M-H]- 247.20674 166.7
[M+NH4]+ 266.24784 181.8
[M+K]+ 287.17718 166.0
[M+H-H2O]+ 231.21128 157.3
[M+HCOO]- 293.21222 185.3
[M+CH3COO]- 307.22787 199.5
[M+Na-2H]- 269.18869 166.1
[M]+ 248.21347 168.2
[M]- 248.21457 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

No patent data available for this compound.