CID 165649135

2,4-bis(methoxymethoxy)-3-(3-methylbut-2-en-1-yl)benzaldehyde

Structural Information

Molecular Formula
C16H22O5
SMILES
CC(=CCC1=C(C=CC(=C1OCOC)C=O)OCOC)C
InChI
InChI=1S/C16H22O5/c1-12(2)5-7-14-15(20-10-18-3)8-6-13(9-17)16(14)21-11-19-4/h5-6,8-9H,7,10-11H2,1-4H3
InChIKey
NVFHYWPVSFQMCN-UHFFFAOYSA-N
Compound name
2,4-bis(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14673 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15401 167.1
[M+Na]+ 317.13595 174.3
[M-H]- 293.13945 170.6
[M+NH4]+ 312.18055 183.0
[M+K]+ 333.10989 172.9
[M+H-H2O]+ 277.14399 160.1
[M+HCOO]- 339.14493 189.8
[M+CH3COO]- 353.16058 204.5
[M+Na-2H]- 315.12140 168.5
[M]+ 294.14618 175.9
[M]- 294.14728 175.9
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.