CID 131839747

Cis-lachnophyllic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
CCCC#CC#C/C=C\C(=O)O
InChI
InChI=1S/C10H10O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-3H2,1H3,(H,11,12)/b9-8-
InChIKey
LGRWEGSQTDGYDD-HJWRWDBZSA-N
Compound name
(Z)-dec-2-en-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 148.4
[M+Na]+ 185.05730 157.8
[M-H]- 161.06080 148.5
[M+NH4]+ 180.10190 161.8
[M+K]+ 201.03124 154.1
[M+H-H2O]+ 145.06534 135.4
[M+HCOO]- 207.06628 157.0
[M+CH3COO]- 221.08193 203.4
[M+Na-2H]- 183.04275 149.2
[M]+ 162.06753 140.4
[M]- 162.06863 140.4
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.