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]+ 295.154006 167.1
[M+Na]+ 317.135948 174.3
[M-H]- 293.139454 170.6
[M+NH4]+ 312.180553 183.0
[M+K]+ 333.109888 172.9
[M+H-H2O]+ 277.143990 160.1
[M+HCOO]- 339.144931 189.8
[M+CH3COO]- 353.160581 204.5
[M+Na-2H]- 315.121396 168.5
[M]+ 294.14618142 175.9
[M]- 294.14727858 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.