CID 112122

Benzene, 2-methoxy-1-(pentyloxy)-4-(1-propenyl)-

Structural Information

Molecular Formula
C15H22O2
SMILES
CCCCCOC1=C(C=C(C=C1)C=CC)OC
InChI
InChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3
InChIKey
IKJFIKIKJWLIQS-UHFFFAOYSA-N
Compound name
2-methoxy-1-pentoxy-4-prop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

234.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.7
[M+Na]+ 257.15121 162.8
[M-H]- 233.15471 159.0
[M+NH4]+ 252.19581 174.2
[M+K]+ 273.12515 159.9
[M+H-H2O]+ 217.15925 149.3
[M+HCOO]- 279.16019 179.0
[M+CH3COO]- 293.17584 194.2
[M+Na-2H]- 255.13666 159.4
[M]+ 234.16144 160.8
[M]- 234.16254 160.8
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