CID 53445363

Ns00024034

Structural Information

Molecular Formula
C19H26O
SMILES
CC1=CC=CC=C1C2CCC(CC2)C3CCC(=O)CC3
InChI
InChI=1S/C19H26O/c1-14-4-2-3-5-19(14)17-8-6-15(7-9-17)16-10-12-18(20)13-11-16/h2-5,15-17H,6-13H2,1H3
InChIKey
QPOHGZYIBCQMNC-UHFFFAOYSA-N
Compound name
4-[4-(2-methylphenyl)cyclohexyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20564 166.5
[M+Na]+ 293.18758 169.1
[M-H]- 269.19108 174.4
[M+NH4]+ 288.23218 182.1
[M+K]+ 309.16152 164.5
[M+H-H2O]+ 253.19562 157.9
[M+HCOO]- 315.19656 182.2
[M+CH3COO]- 329.21221 199.7
[M+Na-2H]- 291.17303 166.0
[M]+ 270.19781 157.8
[M]- 270.19891 157.8
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.