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]+ 233.153606 152.7
[M+Na]+ 255.135548 160.4
[M-H]- 231.139054 159.8
[M+NH4]+ 250.180153 166.0
[M+K]+ 271.109488 157.1
[M+H-H2O]+ 215.143590 145.5
[M+HCOO]- 277.144531 175.5
[M+CH3COO]- 291.160181 195.8
[M+Na-2H]- 253.120996 156.5
[M]+ 232.14578142 157.7
[M]- 232.14687858 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.