CID 5314180

3-(4-methoxyphenyl)-2-propen-1-ol

Structural Information

Molecular Formula
C10H12O2
SMILES
COC1=CC=C(C=C1)/C=C/CO
InChI
InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKey
NYICIIFSBJOBKE-NSCUHMNNSA-N
Compound name
(E)-3-(4-methoxyphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

150
Patents

164.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 141.7
[M-H]- 163.07644 136.3
[M+NH4]+ 182.11754 154.1
[M+K]+ 203.04688 139.1
[M+H-H2O]+ 147.08098 128.5
[M+HCOO]- 209.08192 157.3
[M+CH3COO]- 223.09757 175.3
[M+Na-2H]- 185.05839 140.4
[M]+ 164.08317 134.7
[M]- 164.08427 134.7
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