CID 16227885

Cyclopropyl[4-(pentyloxy)phenyl]methanone

Structural Information

Molecular Formula
C15H20O2
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C15H20O2/c1-2-3-4-11-17-14-9-7-13(8-10-14)15(16)12-5-6-12/h7-10,12H,2-6,11H2,1H3
InChIKey
RPFVGYMTPMYAQU-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-pentoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 152.7
[M+Na]+ 255.13555 160.4
[M-H]- 231.13905 159.8
[M+NH4]+ 250.18015 166.0
[M+K]+ 271.10949 157.1
[M+H-H2O]+ 215.14359 145.5
[M+HCOO]- 277.14453 175.5
[M+CH3COO]- 291.16018 195.8
[M+Na-2H]- 253.12100 156.5
[M]+ 232.14578 157.7
[M]- 232.14688 157.7
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.