CID 614704

62587-03-5

Structural Information

Molecular Formula
C17H18O2
SMILES
COC1=CC=C(C=C1)C(C2CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H18O2/c1-19-16-11-9-15(10-12-16)17(18,14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18H,7-8H2,1H3
InChIKey
SIRULVGQLZGELT-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-methoxyphenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 163.3
[M+Na]+ 277.11990 178.8
[M+NH4]+ 272.16450 172.8
[M+K]+ 293.09384 172.5
[M-H]- 253.12340 175.4
[M+Na-2H]- 275.10535 175.6
[M]+ 254.13013 170.3
[M]- 254.13123 170.3
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

No patent data available for this compound.