CID 5315892

Cinnamyl alcohol

Structural Information

Molecular Formula
C9H10O
SMILES
C1=CC=C(C=C1)/C=C/CO
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChIKey
OOCCDEMITAIZTP-QPJJXVBHSA-N
Compound name
(E)-3-phenylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

487
References

38299
Patents

134.07317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 126.5
[M+Na]+ 157.062388 133.9
[M-H]- 133.065894 128.7
[M+NH4]+ 152.106993 147.7
[M+K]+ 173.036328 131.0
[M+H-H2O]+ 117.070430 121.4
[M+HCOO]- 179.071371 150.1
[M+CH3COO]- 193.087021 169.1
[M+Na-2H]- 155.047836 134.4
[M]+ 134.07262142 125.2
[M]- 134.07371858 125.2
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