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]+ 397.310106 206.3
[M+Na]+ 419.292048 207.6
[M-H]- 395.295554 209.3
[M+NH4]+ 414.336653 216.4
[M+K]+ 435.265988 202.0
[M+H-H2O]+ 379.300090 197.1
[M+HCOO]- 441.301031 222.4
[M+CH3COO]- 455.316681 224.5
[M+Na-2H]- 417.277496 205.6
[M]+ 396.30228142 210.1
[M]- 396.30337858 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.