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
3
Annotation Hits

0
References

5
Patents

198.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 154.4
[M+Na]+ 221.187578 158.3
[M-H]- 197.191084 152.2
[M+NH4]+ 216.232183 173.2
[M+K]+ 237.161518 156.1
[M+H-H2O]+ 181.195620 149.2
[M+HCOO]- 243.196561 172.9
[M+CH3COO]- 257.212211 187.8
[M+Na-2H]- 219.173026 154.7
[M]+ 198.19781142 155.8
[M]- 198.19890858 155.8
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