CID 1549095

Coniferyl alcohol

Structural Information

Molecular Formula
C10H12O3
SMILES
COC1=C(C=CC(=C1)/C=C/CO)O
InChI
InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
InChIKey
JMFRWRFFLBVWSI-NSCUHMNNSA-N
Compound name
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

348
References

7546
Patents

180.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 137.1
[M+Na]+ 203.067858 145.4
[M-H]- 179.071364 138.4
[M+NH4]+ 198.112463 156.2
[M+K]+ 219.041798 142.4
[M+H-H2O]+ 163.075900 131.9
[M+HCOO]- 225.076841 159.2
[M+CH3COO]- 239.092491 176.0
[M+Na-2H]- 201.053306 142.4
[M]+ 180.07809142 137.9
[M]- 180.07918858 137.9
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