CID 3020224

2,5,9-trimethyl-8-decen-5-ol

Structural Information

Molecular Formula
C13H26O
SMILES
CC(C)CCC(C)(CCC=C(C)C)O
InChI
InChI=1S/C13H26O/c1-11(2)7-6-9-13(5,14)10-8-12(3)4/h7,12,14H,6,8-10H2,1-5H3
InChIKey
XNWZTHGGEVXZCM-UHFFFAOYSA-N
Compound name
2,5,9-trimethyldec-8-en-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 153.0
[M+Na]+ 221.187578 157.4
[M-H]- 197.191084 151.3
[M+NH4]+ 216.232183 172.1
[M+K]+ 237.161518 155.7
[M+H-H2O]+ 181.195620 148.7
[M+HCOO]- 243.196561 170.0
[M+CH3COO]- 257.212211 188.1
[M+Na-2H]- 219.173026 154.1
[M]+ 198.19781142 154.0
[M]- 198.19890858 154.0
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

No patent data available for this compound.