CID 101628

3,7-dimethyloct-7-enal

Structural Information

Molecular Formula
C10H18O
SMILES
CC(CCCC(=C)C)CC=O
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3
InChIKey
KQZAHMIZMBERJX-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-7-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

154.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.5
[M+Na]+ 177.12499 143.3
[M-H]- 153.12849 137.4
[M+NH4]+ 172.16959 158.7
[M+K]+ 193.09893 142.3
[M+H-H2O]+ 137.13303 132.8
[M+HCOO]- 199.13397 158.7
[M+CH3COO]- 213.14962 181.2
[M+Na-2H]- 175.11044 140.1
[M]+ 154.13522 139.1
[M]- 154.13632 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.