CID 91213144

2-cyclobutyl-2-phenylethan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CC(C1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C12H16O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2
InChIKey
FVYFUWLHTMATRJ-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 137.1
[M+Na]+ 199.109338 141.1
[M-H]- 175.112844 141.8
[M+NH4]+ 194.153943 149.8
[M+K]+ 215.083278 141.7
[M+H-H2O]+ 159.117380 125.9
[M+HCOO]- 221.118321 156.8
[M+CH3COO]- 235.133971 182.2
[M+Na-2H]- 197.094786 141.8
[M]+ 176.11957142 142.8
[M]- 176.12066858 142.8
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

patents stripe