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
2
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]+ 239.200556 160.1
[M+Na]+ 261.182498 163.6
[M-H]- 237.186004 162.4
[M+NH4]+ 256.227103 177.8
[M+K]+ 277.156438 162.1
[M+H-H2O]+ 221.190540 153.7
[M+HCOO]- 283.191481 178.4
[M+CH3COO]- 297.207131 196.2
[M+Na-2H]- 259.167946 160.0
[M]+ 238.19273142 160.7
[M]- 238.19382858 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.