CID 7146

2-phenylpropanal

Structural Information

Molecular Formula
C9H10O
SMILES
CC(C=O)C1=CC=CC=C1
InChI
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
IQVAERDLDAZARL-UHFFFAOYSA-N
Compound name
2-phenylpropanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

9845
Patents

134.07317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 126.9
[M+Na]+ 157.06239 140.2
[M+NH4]+ 152.10699 136.3
[M+K]+ 173.03633 133.3
[M-H]- 133.06589 129.5
[M+Na-2H]- 155.04784 134.9
[M]+ 134.07262 129.5
[M]- 134.07372 129.5
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