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

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 154.4
[M+Na]+ 221.18758 158.3
[M-H]- 197.19108 152.2
[M+NH4]+ 216.23218 173.2
[M+K]+ 237.16152 156.1
[M+H-H2O]+ 181.19562 149.2
[M+HCOO]- 243.19656 172.9
[M+CH3COO]- 257.21221 187.8
[M+Na-2H]- 219.17303 154.7
[M]+ 198.19781 155.8
[M]- 198.19891 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