CID 97618763

1707586-69-3

Structural Information

Molecular Formula
C12H16O
SMILES
C1C(CC1CO)CC2=CC=CC=C2
InChI
InChI=1S/C12H16O/c13-9-12-7-11(8-12)6-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKey
SIBCXWFKMLOSKE-UHFFFAOYSA-N
Compound name
(3-benzylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 135.3
[M+Na]+ 199.109338 140.6
[M-H]- 175.112844 140.3
[M+NH4]+ 194.153943 148.5
[M+K]+ 215.083278 140.7
[M+H-H2O]+ 159.117380 124.4
[M+HCOO]- 221.118321 156.0
[M+CH3COO]- 235.133971 182.5
[M+Na-2H]- 197.094786 140.7
[M]+ 176.11957142 142.1
[M]- 176.12066858 142.1
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.