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]+ 219.13796 150.2
[M+Na]+ 241.11990 157.6
[M-H]- 217.12340 153.7
[M+NH4]+ 236.16450 169.2
[M+K]+ 257.09384 154.8
[M+H-H2O]+ 201.12794 144.5
[M+HCOO]- 263.12888 172.5
[M+CH3COO]- 277.14453 189.5
[M+Na-2H]- 239.10535 155.9
[M]+ 218.13013 153.4
[M]- 218.13123 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.