CID 159088

Mukaadial

Structural Information

Molecular Formula
C15H22O4
SMILES
C[C@]12CCCC([C@@H]1[C@H](C=C([C@@]2(C=O)O)C=O)O)(C)C
InChI
InChI=1S/C15H22O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7-9,11-12,18-19H,4-6H2,1-3H3/t11-,12-,14-,15+/m0/s1
InChIKey
AMHCJQBKGMEAAJ-NZBPQXDJSA-N
Compound name
(1S,4S,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 157.6
[M+Na]+ 289.14102 166.1
[M-H]- 265.14452 159.6
[M+NH4]+ 284.18562 180.4
[M+K]+ 305.11496 163.0
[M+H-H2O]+ 249.14906 154.4
[M+HCOO]- 311.15000 172.2
[M+CH3COO]- 325.16565 193.9
[M+Na-2H]- 287.12647 162.7
[M]+ 266.15125 156.5
[M]- 266.15235 156.5
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.