CID 14715228

2-phenylpentanal

Structural Information

Molecular Formula
C11H14O
SMILES
CCCC(C=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3
InChIKey
UIXIZFIUMREAFZ-UHFFFAOYSA-N
Compound name
2-phenylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

883
Patents

162.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 135.3
[M+Na]+ 185.09368 141.9
[M-H]- 161.09718 138.7
[M+NH4]+ 180.13828 156.0
[M+K]+ 201.06762 140.0
[M+H-H2O]+ 145.10172 129.5
[M+HCOO]- 207.10266 158.7
[M+CH3COO]- 221.11831 179.4
[M+Na-2H]- 183.07913 141.3
[M]+ 162.10391 136.1
[M]- 162.10501 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe