CID 45101655

10e-tridecen-2s-ol

Structural Information

Molecular Formula
C13H26O
SMILES
CC/C=C/CCCCCCC[C@H](C)O
InChI
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1
InChIKey
UQVARQDMXOJMSY-IHVVCDCBSA-N
Compound name
(E,2S)-tridec-10-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

patents stripe