CID 160707

7-ethoxy-3,7-dimethyloctanal

Structural Information

Molecular Formula
C12H24O2
SMILES
CCOC(C)(C)CCCC(C)CC=O
InChI
InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h10-11H,5-9H2,1-4H3
InChIKey
JACNKCPPJDIHTK-UHFFFAOYSA-N
Compound name
7-ethoxy-3,7-dimethyloctanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

200.17763 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 150.9
[M+Na]+ 223.16685 156.3
[M-H]- 199.17035 150.6
[M+NH4]+ 218.21145 170.5
[M+K]+ 239.14079 155.7
[M+H-H2O]+ 183.17489 146.1
[M+HCOO]- 245.17583 171.0
[M+CH3COO]- 259.19148 189.5
[M+Na-2H]- 221.15230 154.4
[M]+ 200.17708 155.7
[M]- 200.17818 155.7
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

patents stripe