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
1
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]+ 199.20564 153.0
[M+Na]+ 221.18758 157.4
[M-H]- 197.19108 151.3
[M+NH4]+ 216.23218 172.1
[M+K]+ 237.16152 155.7
[M+H-H2O]+ 181.19562 148.7
[M+HCOO]- 243.19656 170.0
[M+CH3COO]- 257.21221 188.1
[M+Na-2H]- 219.17303 154.1
[M]+ 198.19781 154.0
[M]- 198.19891 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.