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
6
Annotation Hits

0
References

1312
Patents

164.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 133.5
[M+Na]+ 187.072938 140.8
[M-H]- 163.076444 137.0
[M+NH4]+ 182.117543 154.1
[M+K]+ 203.046878 139.2
[M+H-H2O]+ 147.080980 127.6
[M+HCOO]- 209.081921 158.5
[M+CH3COO]- 223.097571 177.6
[M+Na-2H]- 185.058386 141.3
[M]+ 164.08317142 136.0
[M]- 164.08426858 136.0
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