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

166
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

literature stripe

Patent stripe

patents stripe