CID 5354882

Neryl formate

Structural Information

Molecular Formula
C11H18O2
SMILES
CC(=CCC/C(=C\COC=O)/C)C
InChI
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
InChIKey
FQMZVFJYMPNUCT-XFFZJAGNSA-N
Compound name
[(2Z)-3,7-dimethylocta-2,6-dienyl] formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

4617
Patents

182.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 144.8
[M+Na]+ 205.11990 154.0
[M+NH4]+ 200.16450 151.3
[M+K]+ 221.09384 148.2
[M-H]- 181.12340 143.1
[M+Na-2H]- 203.10535 146.7
[M]+ 182.13013 145.3
[M]- 182.13123 145.3
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