CID 107119

5-azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3s-(3alpha,3abeta,5alpha,8alpha,8abeta))-

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
3
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 152.8
[M+Na]+ 247.20324 156.0
[M-H]- 223.20674 156.3
[M+NH4]+ 242.24784 172.4
[M+K]+ 263.17718 156.3
[M+H-H2O]+ 207.21128 149.4
[M+HCOO]- 269.21222 166.8
[M+CH3COO]- 283.22787 192.8
[M+Na-2H]- 245.18869 153.0
[M]+ 224.21347 145.9
[M]- 224.21457 145.9
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.