CID 22978917

1-[4-(benzyloxy)phenyl]propan-2-ol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)O
InChI
InChI=1S/C16H18O2/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3
InChIKey
NUBBCIWCHIAYEO-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 156.2
[M+Na]+ 265.11990 162.1
[M-H]- 241.12340 161.2
[M+NH4]+ 260.16450 172.7
[M+K]+ 281.09384 158.4
[M+H-H2O]+ 225.12794 148.8
[M+HCOO]- 287.12888 177.9
[M+CH3COO]- 301.14453 191.5
[M+Na-2H]- 263.10535 160.8
[M]+ 242.13013 156.7
[M]- 242.13123 156.7
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

patents stripe