CID 3020082

Heptanal, 2-[(4-methylphenyl)methylene]-

Structural Information

Molecular Formula
C15H20O
SMILES
CCCCCC(=CC1=CC=C(C=C1)C)C=O
InChI
InChI=1S/C15H20O/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-12H,3-6H2,1-2H3
InChIKey
VHBOIZSCWFNPBM-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methylidene]heptanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

640
Patents

216.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 151.9
[M+Na]+ 239.140628 158.1
[M-H]- 215.144134 154.9
[M+NH4]+ 234.185233 170.7
[M+K]+ 255.114568 154.5
[M+H-H2O]+ 199.148670 145.6
[M+HCOO]- 261.149611 174.1
[M+CH3COO]- 275.165261 191.1
[M+Na-2H]- 237.126076 155.0
[M]+ 216.15086142 153.7
[M]- 216.15195858 153.7
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