CID 10751621

Methyl (e,10r)-10-hydroxydodec-8-en-11-ynoate

Structural Information

Molecular Formula
C13H20O3
SMILES
COC(=O)CCCCCC/C=C/[C@H](C#C)O
InChI
InChI=1S/C13H20O3/c1-3-12(14)10-8-6-4-5-7-9-11-13(15)16-2/h1,8,10,12,14H,4-7,9,11H2,2H3/b10-8+/t12-/m0/s1
InChIKey
LQSJBMSGPQIZBT-OANVXVOSSA-N
Compound name
methyl (E,10R)-10-hydroxydodec-8-en-11-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.7
[M+Na]+ 247.13047 159.6
[M-H]- 223.13397 150.4
[M+NH4]+ 242.17507 168.4
[M+K]+ 263.10441 156.7
[M+H-H2O]+ 207.13851 141.5
[M+HCOO]- 269.13945 166.9
[M+CH3COO]- 283.15510 195.8
[M+Na-2H]- 245.11592 153.1
[M]+ 224.14070 150.1
[M]- 224.14180 150.1
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.