CID 6366043

Einecs 285-726-8

Structural Information

Molecular Formula
C14H18O2
SMILES
C/C=C/C(C)(CC1=CC=C(C=C1)OC)C=O
InChI
InChI=1S/C14H18O2/c1-4-9-14(2,11-15)10-12-5-7-13(16-3)8-6-12/h4-9,11H,10H2,1-3H3/b9-4+
InChIKey
BUBYHHZFOXNUOF-RUDMXATFSA-N
Compound name
(E)-2-[(4-methoxyphenyl)methyl]-2-methylpent-3-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 150.2
[M+Na]+ 241.119898 157.6
[M-H]- 217.123404 153.7
[M+NH4]+ 236.164503 169.2
[M+K]+ 257.093838 154.8
[M+H-H2O]+ 201.127940 144.5
[M+HCOO]- 263.128881 172.5
[M+CH3COO]- 277.144531 189.5
[M+Na-2H]- 239.105346 155.9
[M]+ 218.13013142 153.4
[M]- 218.13122858 153.4
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.