CID 3053224

Brn 2978169

Structural Information

Molecular Formula
C15H20O2
SMILES
CC(CO)C1=CC=C(C=C1)C2CCCC(=O)C2
InChI
InChI=1S/C15H20O2/c1-11(10-16)12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKey
AQXSVYGUHAPHKE-UHFFFAOYSA-N
Compound name
3-[4-(1-hydroxypropan-2-yl)phenyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.2
[M+Na]+ 255.135548 158.7
[M-H]- 231.139054 158.8
[M+NH4]+ 250.180153 171.2
[M+K]+ 271.109488 155.3
[M+H-H2O]+ 215.143590 147.4
[M+HCOO]- 277.144531 172.1
[M+CH3COO]- 291.160181 189.9
[M+Na-2H]- 253.120996 155.7
[M]+ 232.14578142 149.8
[M]- 232.14687858 149.8
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.