CID 6433026

2-phenylhex-2-enal

Structural Information

Molecular Formula
C12H14O
SMILES
CCC/C=C(/C=O)\C1=CC=CC=C1
InChI
InChI=1S/C12H14O/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-10H,2-3H2,1H3/b12-7-
InChIKey
LYAVRIBWJOVBLZ-GHXNOFRVSA-N
Compound name
(E)-2-phenylhex-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

941
Patents

174.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 138.7
[M+Na]+ 197.093678 145.3
[M-H]- 173.097184 142.0
[M+NH4]+ 192.138283 159.0
[M+K]+ 213.067618 142.5
[M+H-H2O]+ 157.101720 132.9
[M+HCOO]- 219.102661 162.0
[M+CH3COO]- 233.118311 180.9
[M+Na-2H]- 195.079126 144.2
[M]+ 174.10391142 139.1
[M]- 174.10500858 139.1
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