CID 54772596

[4-(4-methoxyphenyl)oxan-4-yl]methanol

Structural Information

Molecular Formula
C13H18O3
SMILES
COC1=CC=C(C=C1)C2(CCOCC2)CO
InChI
InChI=1S/C13H18O3/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13/h2-5,14H,6-10H2,1H3
InChIKey
LITSRQZCZWWONU-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 149.9
[M+Na]+ 245.114818 155.3
[M-H]- 221.118324 155.4
[M+NH4]+ 240.159423 167.9
[M+K]+ 261.088758 154.4
[M+H-H2O]+ 205.122860 143.4
[M+HCOO]- 267.123801 168.6
[M+CH3COO]- 281.139451 184.2
[M+Na-2H]- 243.100266 156.4
[M]+ 222.12505142 148.2
[M]- 222.12614858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.