CID 170988463

Ustusal a

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=C[C@@H]([C@@H]2[C@@]([C@]1(C=O)O)(CCCC2(C)C)C)O
InChI
InChI=1S/C15H24O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8-9,11-12,17-18H,5-7H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKey
UDLDHVHPUKXMQG-NZBPQXDJSA-N
Compound name
(1R,4S,4aS,8aS)-1,4-dihydroxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 156.0
[M+Na]+ 275.16177 164.3
[M-H]- 251.16527 158.1
[M+NH4]+ 270.20637 179.6
[M+K]+ 291.13571 161.2
[M+H-H2O]+ 235.16981 152.9
[M+HCOO]- 297.17075 170.3
[M+CH3COO]- 311.18640 192.5
[M+Na-2H]- 273.14722 160.8
[M]+ 252.17200 154.1
[M]- 252.17310 154.1
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.