CID 61092

Rhodinyl formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(CCCC(=C)C)CCOC=O
InChI
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3
InChIKey
VMBKZHMLQXCNCP-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-7-enyl formate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

167
Patents

184.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.3
[M+Na]+ 207.13555 154.3
[M+NH4]+ 202.18015 151.9
[M+K]+ 223.10949 148.7
[M-H]- 183.13905 143.8
[M+Na-2H]- 205.12100 147.2
[M]+ 184.14578 145.8
[M]- 184.14688 145.8
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