CID 3017604

Dtxsid601288605

Structural Information

Molecular Formula
C14H18O2
SMILES
CC=C(C)CCOC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C14H18O2/c1-3-12(2)9-10-16-14(15)11-13-7-5-4-6-8-13/h3-8H,9-11H2,1-2H3
InChIKey
ZSWBBBXEPCSQNE-UHFFFAOYSA-N
Compound name
3-methylpent-3-enyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 152.0
[M+Na]+ 241.119898 157.5
[M-H]- 217.123404 154.9
[M+NH4]+ 236.164503 170.3
[M+K]+ 257.093838 155.1
[M+H-H2O]+ 201.127940 145.5
[M+HCOO]- 263.128881 173.8
[M+CH3COO]- 277.144531 189.0
[M+Na-2H]- 239.105346 155.0
[M]+ 218.13013142 153.8
[M]- 218.13122858 153.8
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.