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

277
Patents

174.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 138.7
[M+Na]+ 197.09368 145.3
[M-H]- 173.09718 142.0
[M+NH4]+ 192.13828 159.0
[M+K]+ 213.06762 142.5
[M+H-H2O]+ 157.10172 132.9
[M+HCOO]- 219.10266 162.0
[M+CH3COO]- 233.11831 180.9
[M+Na-2H]- 195.07913 144.2
[M]+ 174.10391 139.1
[M]- 174.10501 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