CID 101070489

(z)-11-(4-hydroxy-5-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl)undec-9-enoic acid

Structural Information

Molecular Formula
C18H30O5
SMILES
CC12C(CCC(O1)C(O2)C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H30O5/c1-18-16(19)13-12-15(23-18)14(22-18)10-8-6-4-2-3-5-7-9-11-17(20)21/h6,8,14-16,19H,2-5,7,9-13H2,1H3,(H,20,21)/b8-6-
InChIKey
AXRADOFMFPTYAS-VURMDHGXSA-N
Compound name
(Z)-11-(4-hydroxy-5-methyl-6,8-dioxabicyclo[3.2.1]octan-7-yl)undec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.20932 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21660 181.4
[M+Na]+ 349.19854 184.6
[M-H]- 325.20204 181.0
[M+NH4]+ 344.24314 196.8
[M+K]+ 365.17248 182.7
[M+H-H2O]+ 309.20658 176.9
[M+HCOO]- 371.20752 192.8
[M+CH3COO]- 385.22317 204.6
[M+Na-2H]- 347.18399 182.6
[M]+ 326.20877 184.0
[M]- 326.20987 184.0
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.