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

23
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 132.8
[M+Na]+ 197.09368 138.8
[M-H]- 173.09718 139.2
[M+NH4]+ 192.13828 146.7
[M+K]+ 213.06762 139.2
[M+H-H2O]+ 157.10172 121.7
[M+HCOO]- 219.10266 155.2
[M+CH3COO]- 233.11831 184.2
[M+Na-2H]- 195.07913 138.8
[M]+ 174.10391 140.7
[M]- 174.10501 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