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

202
Patents

218.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 151.8
[M+Na]+ 241.11990 157.5
[M-H]- 217.12340 154.6
[M+NH4]+ 236.16450 170.2
[M+K]+ 257.09384 154.7
[M+H-H2O]+ 201.12794 145.2
[M+HCOO]- 263.12888 174.6
[M+CH3COO]- 277.14453 188.2
[M+Na-2H]- 239.10535 156.0
[M]+ 218.13013 154.2
[M]- 218.13123 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