CID 226337

4-(heptyloxy)-m-anisaldehyde

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C15H22O3/c1-3-4-5-6-7-10-18-14-9-8-13(12-16)11-15(14)17-2/h8-9,11-12H,3-7,10H2,1-2H3
InChIKey
ICALILSAQCFUHV-UHFFFAOYSA-N
Compound name
4-heptoxy-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.15689 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.7
[M+Na]+ 273.14611 165.6
[M-H]- 249.14961 161.9
[M+NH4]+ 268.19071 176.3
[M+K]+ 289.12005 163.2
[M+H-H2O]+ 233.15415 151.9
[M+HCOO]- 295.15509 182.1
[M+CH3COO]- 309.17074 196.9
[M+Na-2H]- 271.13156 162.3
[M]+ 250.15634 165.2
[M]- 250.15744 165.2
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