CID 14770314

2-methyl-1-(4-pentylphenyl)propan-1-one

Structural Information

Molecular Formula
C15H22O
SMILES
CCCCCC1=CC=C(C=C1)C(=O)C(C)C
InChI
InChI=1S/C15H22O/c1-4-5-6-7-13-8-10-14(11-9-13)15(16)12(2)3/h8-12H,4-7H2,1-3H3
InChIKey
JTUWJRNEYNBPMV-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-pentylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.3
[M+Na]+ 241.15629 158.9
[M-H]- 217.15979 156.4
[M+NH4]+ 236.20089 172.0
[M+K]+ 257.13023 156.4
[M+H-H2O]+ 201.16433 147.1
[M+HCOO]- 263.16527 174.3
[M+CH3COO]- 277.18092 193.5
[M+Na-2H]- 239.14174 155.2
[M]+ 218.16652 155.3
[M]- 218.16762 155.3
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