CID 109338

Einecs 270-042-4

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCCC(CCCC(=O)C(C)(C)O)C1=CC=CC=C1
InChI
InChI=1S/C22H36O2/c1-4-5-6-7-8-10-14-20(19-15-11-9-12-16-19)17-13-18-21(23)22(2,3)24/h9,11-12,15-16,20,24H,4-8,10,13-14,17-18H2,1-3H3
InChIKey
NRQOJDAHMFRJKC-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methyl-7-phenylpentadecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.27155 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 189.7
[M+Na]+ 355.26077 191.2
[M-H]- 331.26427 189.8
[M+NH4]+ 350.30537 202.6
[M+K]+ 371.23471 187.1
[M+H-H2O]+ 315.26881 182.4
[M+HCOO]- 377.26975 205.4
[M+CH3COO]- 391.28540 212.9
[M+Na-2H]- 353.24622 188.6
[M]+ 332.27100 192.8
[M]- 332.27210 192.8
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.