CID 156581610

Cladosporacid a

Structural Information

Molecular Formula
C12H22O4
SMILES
CC(CCCCCC(C/C=C/C(=O)O)O)O
InChI
InChI=1S/C12H22O4/c1-10(13)6-3-2-4-7-11(14)8-5-9-12(15)16/h5,9-11,13-14H,2-4,6-8H2,1H3,(H,15,16)/b9-5+
InChIKey
BAFMYYVGHUWMQJ-WEVVVXLNSA-N
Compound name
(E)-5,11-dihydroxydodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15181 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15909 158.3
[M+Na]+ 253.14103 161.6
[M-H]- 229.14453 153.4
[M+NH4]+ 248.18563 174.0
[M+K]+ 269.11497 159.3
[M+H-H2O]+ 213.14907 153.1
[M+HCOO]- 275.15001 173.9
[M+CH3COO]- 289.16566 185.6
[M+Na-2H]- 251.12648 156.8
[M]+ 230.15126 158.4
[M]- 230.15236 158.4
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

No patent data available for this compound.