CID 13889584

Schembl7569497

Structural Information

Molecular Formula
C14H26O
SMILES
CC(CCC(CCC=C)C(=C)C)CCO
InChI
InChI=1S/C14H26O/c1-5-6-7-14(12(2)3)9-8-13(4)10-11-15/h5,13-15H,1-2,6-11H2,3-4H3
InChIKey
DOAVKAUJYAQHDR-UHFFFAOYSA-N
Compound name
3-methyl-6-prop-1-en-2-yldec-9-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

210.19836 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 157.2
[M+Na]+ 233.187578 160.6
[M-H]- 209.191084 154.9
[M+NH4]+ 228.232183 175.3
[M+K]+ 249.161518 158.0
[M+H-H2O]+ 193.195620 152.0
[M+HCOO]- 255.196561 174.5
[M+CH3COO]- 269.212211 191.4
[M+Na-2H]- 231.173026 155.7
[M]+ 210.19781142 157.6
[M]- 210.19890858 157.6
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