CID 10888453

[(pent-4-en-1-yloxy)methyl]benzene

Structural Information

Molecular Formula
C12H16O
SMILES
C=CCCCOCC1=CC=CC=C1
InChI
InChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-6,8-9H,1,3,7,10-11H2
InChIKey
HGTJLOSSHOFXQI-UHFFFAOYSA-N
Compound name
pent-4-enoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

176.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 139.6
[M+Na]+ 199.10934 146.0
[M-H]- 175.11284 142.6
[M+NH4]+ 194.15394 159.8
[M+K]+ 215.08328 143.4
[M+H-H2O]+ 159.11738 133.5
[M+HCOO]- 221.11832 163.6
[M+CH3COO]- 235.13397 181.7
[M+Na-2H]- 197.09479 146.3
[M]+ 176.11957 141.4
[M]- 176.12067 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe