CID 23110023

224586-49-6

Structural Information

Molecular Formula
C13H18O4
SMILES
CCC(C)OC1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C13H18O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h6-9H,5H2,1-4H3
InChIKey
VCHJCKGXKVNISR-UHFFFAOYSA-N
Compound name
4-butan-2-yloxy-3,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

238.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 151.5
[M+Na]+ 261.10973 159.9
[M-H]- 237.11323 155.6
[M+NH4]+ 256.15433 169.9
[M+K]+ 277.08367 159.2
[M+H-H2O]+ 221.11777 145.4
[M+HCOO]- 283.11871 174.9
[M+CH3COO]- 297.13436 195.0
[M+Na-2H]- 259.09518 154.5
[M]+ 238.11996 158.6
[M]- 238.12106 158.6
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

patents stripe