CID 561837

1-benzylcyclobutan-1-ol

Structural Information

Molecular Formula
C11H14O
SMILES
C1CC(C1)(CC2=CC=CC=C2)O
InChI
InChI=1S/C11H14O/c12-11(7-4-8-11)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKey
QWBPLEKQBIXWEO-UHFFFAOYSA-N
Compound name
1-benzylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

162.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 133.0
[M+Na]+ 185.093678 138.8
[M-H]- 161.097184 138.4
[M+NH4]+ 180.138283 148.5
[M+K]+ 201.067618 139.1
[M+H-H2O]+ 145.101720 123.1
[M+HCOO]- 207.102661 154.1
[M+CH3COO]- 221.118311 178.1
[M+Na-2H]- 183.079126 140.5
[M]+ 162.10391142 139.4
[M]- 162.10500858 139.4
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