CID 5319306

Methyl (2z,8z)-deca-2,8-dien-4,6-diynoate

Structural Information

Molecular Formula
C11H10O2
SMILES
C/C=C\C#CC#C/C=C\C(=O)OC
InChI
InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3-,10-9-
InChIKey
GXPDZHWFJLUFGY-RTAKVZRXSA-N
Compound name
methyl (2Z,8Z)-deca-2,8-dien-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

174.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 150.3
[M+Na]+ 197.05730 160.1
[M-H]- 173.06080 151.3
[M+NH4]+ 192.10190 163.9
[M+K]+ 213.03124 156.2
[M+H-H2O]+ 157.06534 137.1
[M+HCOO]- 219.06628 159.8
[M+CH3COO]- 233.08193 205.6
[M+Na-2H]- 195.04275 151.1
[M]+ 174.06753 143.2
[M]- 174.06863 143.2
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