CID 5320651

Pogostol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C1CC(CCC2(C)O)C(=C)C
InChI
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h11-14,16H,1,5-9H2,2-4H3
InChIKey
VYOZKWKETGHHDW-UHFFFAOYSA-N
Compound name
1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

222.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 151.6
[M+Na]+ 245.18758 155.3
[M-H]- 221.19108 155.1
[M+NH4]+ 240.23218 172.9
[M+K]+ 261.16152 154.6
[M+H-H2O]+ 205.19562 148.0
[M+HCOO]- 267.19656 166.2
[M+CH3COO]- 281.21221 192.0
[M+Na-2H]- 243.17303 150.8
[M]+ 222.19781 143.9
[M]- 222.19891 143.9
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.