CID 9543649

Drosophilin c

Structural Information

Molecular Formula
C11H8O2
SMILES
C#CCC#CC#C/C=C\CC(=O)O
InChI
InChI=1S/C11H8O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,8-9H,3,10H2,(H,12,13)/b9-8-
InChIKey
HIUCKCDFIJDCPR-HJWRWDBZSA-N
Compound name
(Z)-undec-3-en-5,7,10-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.05243 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05971 162.9
[M+Na]+ 195.04165 170.9
[M-H]- 171.04515 165.2
[M+NH4]+ 190.08625 170.9
[M+K]+ 211.01559 167.3
[M+H-H2O]+ 155.04969 151.6
[M+HCOO]- 217.05063 165.8
[M+CH3COO]- 231.06628 226.0
[M+Na-2H]- 193.02710 161.1
[M]+ 172.05188 155.1
[M]- 172.05298 155.1
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