CID 101278

2-[(4-methoxyphenyl)methylene]heptanal

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCCC(=CC1=CC=C(C=C1)OC)C=O
InChI
InChI=1S/C15H20O2/c1-3-4-5-6-14(12-16)11-13-7-9-15(17-2)10-8-13/h7-12H,3-6H2,1-2H3
InChIKey
ULNWJBBIVSQKGC-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylidene]heptanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.9
[M+Na]+ 255.13555 168.0
[M+NH4]+ 250.18015 163.4
[M+K]+ 271.10949 160.3
[M-H]- 231.13905 157.5
[M+Na-2H]- 253.12100 161.5
[M]+ 232.14578 158.0
[M]- 232.14688 158.0
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.