CID 7707

3-phenylpropanal

Structural Information

Molecular Formula
C9H10O
SMILES
C1=CC=C(C=C1)CCC=O
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKey
YGCZTXZTJXYWCO-UHFFFAOYSA-N
Compound name
3-phenylpropanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

50
References

25949
Patents

134.07317 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 126.7
[M+Na]+ 157.06239 140.4
[M+NH4]+ 152.10699 136.2
[M+K]+ 173.03633 132.7
[M-H]- 133.06589 129.5
[M+Na-2H]- 155.04784 135.1
[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