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

literature stripe

Patent stripe

patents stripe