CID 137323798

Methyl 2z,8z-nonadien-4,6-diynoate

Structural Information

Molecular Formula
C10H8O2
SMILES
COC(=O)/C=C\C#CC#CC=C
InChI
InChI=1S/C10H8O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3,8-9H,1H2,2H3/b9-8-
InChIKey
NKASLWMHBKLOBW-HJWRWDBZSA-N
Compound name
methyl (2Z)-nona-2,8-dien-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 147.3
[M+Na]+ 183.04165 157.2
[M-H]- 159.04515 148.3
[M+NH4]+ 178.08625 161.2
[M+K]+ 199.01559 153.6
[M+H-H2O]+ 143.04969 134.1
[M+HCOO]- 205.05063 157.0
[M+CH3COO]- 219.06628 204.1
[M+Na-2H]- 181.02710 148.4
[M]+ 160.05188 140.0
[M]- 160.05298 140.0
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.