CID 71742394

197718-49-3

Structural Information

Molecular Formula
C11H14O
SMILES
C1C(CC1O)CC2=CC=CC=C2
InChI
InChI=1S/C11H14O/c12-11-7-10(8-11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
BWMAGQUALUZHSB-UHFFFAOYSA-N
Compound name
3-benzylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 130.6
[M+Na]+ 185.093678 136.3
[M-H]- 161.097184 135.8
[M+NH4]+ 180.138283 144.3
[M+K]+ 201.067618 136.7
[M+H-H2O]+ 145.101720 119.9
[M+HCOO]- 207.102661 151.7
[M+CH3COO]- 221.118311 179.6
[M+Na-2H]- 183.079126 136.6
[M]+ 162.10391142 137.1
[M]- 162.10500858 137.1
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.