CID 5280535

P-coumaryl alcohol

Structural Information

Molecular Formula
C9H10O2
SMILES
C1=CC(=CC=C1/C=C/CO)O
InChI
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChIKey
PTNLHDGQWUGONS-OWOJBTEDSA-N
Compound name
4-[(E)-3-hydroxyprop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

991
References

2740
Patents

150.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 129.9
[M+Na]+ 173.057298 137.8
[M-H]- 149.060804 131.1
[M+NH4]+ 168.101903 150.1
[M+K]+ 189.031238 134.5
[M+H-H2O]+ 133.065340 125.0
[M+HCOO]- 195.066281 152.2
[M+CH3COO]- 209.081931 169.6
[M+Na-2H]- 171.042746 136.5
[M]+ 150.06753142 128.6
[M]- 150.06862858 128.6
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