CID 61010

3-phenylpropyl formate

Structural Information

Molecular Formula
C10H12O2
SMILES
C1=CC=C(C=C1)CCCOC=O
InChI
InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey
AMHRXSOVSAQOKL-UHFFFAOYSA-N
Compound name
3-phenylpropyl formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1021
Patents

164.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.5
[M+Na]+ 187.07294 147.4
[M+NH4]+ 182.11754 143.2
[M+K]+ 203.04688 140.0
[M-H]- 163.07644 136.7
[M+Na-2H]- 185.05839 142.1
[M]+ 164.08317 136.9
[M]- 164.08427 136.9
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