CID 5354883

Cinnamyl formate

Structural Information

Molecular Formula
C10H10O2
SMILES
C1=CC=C(C=C1)/C=C/COC=O
InChI
InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
InChIKey
LBHJXKYRYCUGPD-QPJJXVBHSA-N
Compound name
[(E)-3-phenylprop-2-enyl] formate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

1917
Patents

162.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 132.3
[M+Na]+ 185.05730 140.0
[M-H]- 161.06080 135.8
[M+NH4]+ 180.10190 153.0
[M+K]+ 201.03124 137.7
[M+H-H2O]+ 145.06534 126.6
[M+HCOO]- 207.06628 157.5
[M+CH3COO]- 221.08193 176.0
[M+Na-2H]- 183.04275 140.2
[M]+ 162.06753 134.1
[M]- 162.06863 134.1
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