CID 146672912

Asperaculane g

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1=CC[C@@H]2/C(=C(\C)/C(=O)O)/C[C@H]([C@]2([C@H](C1)O)C)O
InChI
InChI=1S/C15H22O4/c1-8-4-5-11-10(9(2)14(18)19)7-13(17)15(11,3)12(16)6-8/h4,11-13,16-17H,5-7H2,1-3H3,(H,18,19)/b10-9+/t11-,12+,13-,15-/m1/s1
InChIKey
SFKVYZKKPMSRCR-JBOWGTNDSA-N
Compound name
(2E)-2-[(3R,3aR,4S,8aR)-3,4-dihydroxy-3a,6-dimethyl-2,3,4,5,8,8a-hexahydroazulen-1-ylidene]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 156.1
[M+Na]+ 289.14102 161.6
[M+NH4]+ 284.18562 162.6
[M+K]+ 305.11496 160.2
[M-H]- 265.14452 154.5
[M+Na-2H]- 287.12647 156.9
[M]+ 266.15125 156.1
[M]- 266.15235 156.1
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.