CID 90776

22418-66-2

Structural Information

Molecular Formula
C11H18O
SMILES
CC(CCC=C(C)C)C(=C)C=O
InChI
InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)11(4)8-12/h6,8,10H,4-5,7H2,1-3H3
InChIKey
FAGYGFPZNTYLAO-UHFFFAOYSA-N
Compound name
3,7-dimethyl-2-methylideneoct-6-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1231
Patents

166.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 142.0
[M+Na]+ 189.12499 151.3
[M+NH4]+ 184.16959 148.9
[M+K]+ 205.09893 145.8
[M-H]- 165.12849 140.6
[M+Na-2H]- 187.11044 144.0
[M]+ 166.13522 142.6
[M]- 166.13632 142.6
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