CID 614704

Alpha-cyclopropyl-4-methoxydiphenylmethanol

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 153.9
[M+Na]+ 277.11990 161.8
[M-H]- 253.12340 162.8
[M+NH4]+ 272.16450 165.3
[M+K]+ 293.09384 157.8
[M+H-H2O]+ 237.12794 146.6
[M+HCOO]- 299.12888 175.4
[M+CH3COO]- 313.14453 195.4
[M+Na-2H]- 275.10535 160.6
[M]+ 254.13013 156.0
[M]- 254.13123 156.0
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