CID 3024312

94313-93-6

Structural Information

Molecular Formula
C27H40O2
SMILES
CCCCCCCCCCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O
InChI
InChI=1S/C27H40O2/c1-4-5-6-7-8-9-10-14-17-25(28)22-29-26-20-18-24(19-21-26)27(2,3)23-15-12-11-13-16-23/h11-13,15-16,18-21,25,28H,4-10,14,17,22H2,1-3H3
InChIKey
VVSMIUNECPKPEV-UHFFFAOYSA-N
Compound name
1-[4-(2-phenylpropan-2-yl)phenoxy]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.30283 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.31011 206.3
[M+Na]+ 419.29205 207.6
[M-H]- 395.29555 209.3
[M+NH4]+ 414.33665 216.4
[M+K]+ 435.26599 202.0
[M+H-H2O]+ 379.30009 197.1
[M+HCOO]- 441.30103 222.4
[M+CH3COO]- 455.31668 224.5
[M+Na-2H]- 417.27750 205.6
[M]+ 396.30228 210.1
[M]- 396.30338 210.1
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.