CID 135156612

3-ethyl-4-methyldec-4-en-1-ol

Structural Information

Molecular Formula
C13H26O
SMILES
CCCCCC=C(C)C(CC)CCO
InChI
InChI=1S/C13H26O/c1-4-6-7-8-9-12(3)13(5-2)10-11-14/h9,13-14H,4-8,10-11H2,1-3H3
InChIKey
KZGOSHRYZFCJNA-UHFFFAOYSA-N
Compound name
3-ethyl-4-methyldec-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

198.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 152.7
[M+Na]+ 221.18758 161.2
[M+NH4]+ 216.23218 159.5
[M+K]+ 237.16152 154.9
[M-H]- 197.19108 151.4
[M+Na-2H]- 219.17303 154.1
[M]+ 198.19781 153.3
[M]- 198.19891 153.3
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