CID 5367698

Cis-3-hexenyl phenylacetate

Structural Information

Molecular Formula
C14H18O2
SMILES
CC/C=C\CCOC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKey
FJKFIIYSBXHBCT-ARJAWSKDSA-N
Compound name
[(Z)-hex-3-enyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

188
Patents

218.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 151.8
[M+Na]+ 241.119898 157.5
[M-H]- 217.123404 154.6
[M+NH4]+ 236.164503 170.2
[M+K]+ 257.093838 154.7
[M+H-H2O]+ 201.127940 145.2
[M+HCOO]- 263.128881 174.6
[M+CH3COO]- 277.144531 188.2
[M+Na-2H]- 239.105346 156.0
[M]+ 218.13013142 154.2
[M]- 218.13122858 154.2
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