CID 56935892

6z-tridecen-2r-ol

Structural Information

Molecular Formula
C13H26O
SMILES
CCCCCC/C=C\CCC[C@@H](C)O
InChI
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h8-9,13-14H,3-7,10-12H2,1-2H3/b9-8-/t13-/m1/s1
InChIKey
YGVBKNKMXWGWPI-LJTDUEICSA-N
Compound name
(Z,2R)-tridec-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.205636 154.0
[M+Na]+ 221.187578 158.0
[M-H]- 197.191084 151.7
[M+NH4]+ 216.232183 172.9
[M+K]+ 237.161518 155.4
[M+H-H2O]+ 181.195620 148.7
[M+HCOO]- 243.196561 173.4
[M+CH3COO]- 257.212211 186.9
[M+Na-2H]- 219.173026 155.5
[M]+ 198.19781142 156.0
[M]- 198.19890858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.