CID 107119

2-(3,8-dimethyldecahydroazulen-5-yl)propan-2-ol

Structural Information

Molecular Formula
C15H28O
SMILES
CC1CCC(CC2C1CCC2C)C(C)(C)O
InChI
InChI=1S/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3
InChIKey
PAFKTNNJJBQVBA-UHFFFAOYSA-N
Compound name
2-(3,8-dimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

224.21402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 153.5
[M+Na]+ 247.20324 160.4
[M+NH4]+ 242.24784 161.4
[M+K]+ 263.17718 158.0
[M-H]- 223.20674 154.3
[M+Na-2H]- 245.18869 155.1
[M]+ 224.21347 154.6
[M]- 224.21457 154.6
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.