CID 110745

Palustrol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2(C1C3C(C3(C)C)CCC2C)O
InChI
InChI=1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3
InChIKey
QWRTXOOFEHOROQ-UHFFFAOYSA-N
Compound name
1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

82
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 146.5
[M+Na]+ 245.18758 154.3
[M-H]- 221.19108 152.2
[M+NH4]+ 240.23218 166.1
[M+K]+ 261.16152 152.7
[M+H-H2O]+ 205.19562 143.9
[M+HCOO]- 267.19656 160.6
[M+CH3COO]- 281.21221 158.0
[M+Na-2H]- 243.17303 149.3
[M]+ 222.19781 144.7
[M]- 222.19891 144.7
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.