CID 16227919

Cyclopropyl(4-pentylphenyl)methanone

Structural Information

Molecular Formula
C15H20O
SMILES
CCCCCC1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C15H20O/c1-2-3-4-5-12-6-8-13(9-7-12)15(16)14-10-11-14/h6-9,14H,2-5,10-11H2,1H3
InChIKey
NMKZOWGGPRIOJO-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-pentylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 148.7
[M+Na]+ 239.140628 156.4
[M-H]- 215.144134 155.8
[M+NH4]+ 234.185233 162.6
[M+K]+ 255.114568 152.8
[M+H-H2O]+ 199.148670 141.6
[M+HCOO]- 261.149611 171.3
[M+CH3COO]- 275.165261 193.9
[M+Na-2H]- 237.126076 152.6
[M]+ 216.15086142 152.3
[M]- 216.15195858 152.3
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

No patent data available for this compound.