CID 66732815

[(3-methylidenecyclobutoxy)methyl]benzene

Structural Information

Molecular Formula
C12H14O
SMILES
C=C1CC(C1)OCC2=CC=CC=C2
InChI
InChI=1S/C12H14O/c1-10-7-12(8-10)13-9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKey
UEGQHXFPWDNFGH-UHFFFAOYSA-N
Compound name
(3-methylidenecyclobutyl)oxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 132.8
[M+Na]+ 197.093678 138.8
[M-H]- 173.097184 139.2
[M+NH4]+ 192.138283 146.7
[M+K]+ 213.067618 139.2
[M+H-H2O]+ 157.101720 121.7
[M+HCOO]- 219.102661 155.2
[M+CH3COO]- 233.118311 184.2
[M+Na-2H]- 195.079126 138.8
[M]+ 174.10391142 140.7
[M]- 174.10500858 140.7
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