CID 175289

Einecs 277-046-5

Structural Information

Molecular Formula
C15H26O2
SMILES
CCOC(C)OCCC(=C)C1CCC(=CC1)C
InChI
InChI=1S/C15H26O2/c1-5-16-14(4)17-11-10-13(3)15-8-6-12(2)7-9-15/h6,14-15H,3,5,7-11H2,1-2,4H3
InChIKey
NCYWZQBBJWLPIM-UHFFFAOYSA-N
Compound name
4-[4-(1-ethoxyethoxy)but-1-en-2-yl]-1-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 160.1
[M+Na]+ 261.18250 163.6
[M-H]- 237.18600 162.4
[M+NH4]+ 256.22710 177.8
[M+K]+ 277.15644 162.1
[M+H-H2O]+ 221.19054 153.7
[M+HCOO]- 283.19148 178.4
[M+CH3COO]- 297.20713 196.2
[M+Na-2H]- 259.16795 160.0
[M]+ 238.19273 160.7
[M]- 238.19383 160.7
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.