CID 94062

2,4,6-tripropoxybenzaldehyde

Structural Information

Molecular Formula
C16H24O4
SMILES
CCCOC1=CC(=C(C(=C1)OCCC)C=O)OCCC
InChI
InChI=1S/C16H24O4/c1-4-7-18-13-10-15(19-8-5-2)14(12-17)16(11-13)20-9-6-3/h10-12H,4-9H2,1-3H3
InChIKey
ZKEZHPWKUOFRIB-UHFFFAOYSA-N
Compound name
2,4,6-tripropoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

280.16745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 165.5
[M+Na]+ 303.15667 172.8
[M-H]- 279.16017 168.9
[M+NH4]+ 298.20127 182.2
[M+K]+ 319.13061 170.8
[M+H-H2O]+ 263.16471 158.5
[M+HCOO]- 325.16565 188.8
[M+CH3COO]- 339.18130 203.1
[M+Na-2H]- 301.14212 168.0
[M]+ 280.16690 174.3
[M]- 280.16800 174.3
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