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

72
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

literature stripe

Patent stripe

patents stripe