CID 14412873

4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1h-azulene-6-carbaldehyde

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1C=C(C(C(C2C1CC(C2)(C)C)O)CO)C=O
InChI
InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3
InChIKey
MABZIKXHSLOMDZ-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 153.8
[M+Na]+ 275.16177 161.2
[M+NH4]+ 270.20637 161.6
[M+K]+ 291.13571 157.7
[M-H]- 251.16527 153.8
[M+Na-2H]- 273.14722 156.0
[M]+ 252.17200 154.7
[M]- 252.17310 154.7
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.