CID 562667

Nonyl phenylacetate

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCCCCCCOC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChIKey
QICYMLLAPDCBNZ-UHFFFAOYSA-N
Compound name
nonyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.19327 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 166.3
[M+Na]+ 285.18249 177.5
[M+NH4]+ 280.22709 173.7
[M+K]+ 301.15643 169.2
[M-H]- 261.18599 168.0
[M+Na-2H]- 283.16794 171.6
[M]+ 262.19272 168.3
[M]- 262.19382 168.3
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