CID 101764367

Schembl16934948

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=CCC/C(=C/OC=O)/C)C
InChI
InChI=1S/C10H16O2/c1-9(2)5-4-6-10(3)7-12-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey
IKCSRILZGJCOGF-JXMROGBWSA-N
Compound name
[(1E)-2,6-dimethylhepta-1,5-dienyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

168.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 140.5
[M+Na]+ 191.10426 149.8
[M+NH4]+ 186.14886 147.0
[M+K]+ 207.07820 144.3
[M-H]- 167.10776 138.8
[M+Na-2H]- 189.08971 142.6
[M]+ 168.11449 141.0
[M]- 168.11559 141.0
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