CID 106900

67845-97-0

Structural Information

Molecular Formula
C21H26O3
SMILES
CCCCC(C)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C21H26O3/c1-3-4-8-16(2)13-14-24-18-11-12-19(20(22)15-18)21(23)17-9-6-5-7-10-17/h5-7,9-12,15-16,22H,3-4,8,13-14H2,1-2H3
InChIKey
DRGCHZYNFDICTL-UHFFFAOYSA-N
Compound name
[2-hydroxy-4-(3-methylheptoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1882 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 181.1
[M+Na]+ 349.17742 193.7
[M+NH4]+ 344.22202 188.0
[M+K]+ 365.15136 186.1
[M-H]- 325.18092 184.4
[M+Na-2H]- 347.16287 187.7
[M]+ 326.18765 183.8
[M]- 326.18875 183.8
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.