CID 56927933

Avermitilol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@@H]([C@@]2([C@@H]1[C@H]3[C@H](C3(C)C)CC2)C)O
InChI
InChI=1S/C15H26O/c1-9-5-6-11(16)15(4)8-7-10-13(12(9)15)14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m1/s1
InChIKey
BLGPPSRDEKNCLT-CDWXYHGHSA-N
Compound name
(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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 154.8
[M+Na]+ 245.18758 163.8
[M-H]- 221.19108 159.3
[M+NH4]+ 240.23218 174.3
[M+K]+ 261.16152 160.7
[M+H-H2O]+ 205.19562 150.7
[M+HCOO]- 267.19656 167.6
[M+CH3COO]- 281.21221 195.0
[M+Na-2H]- 243.17303 158.8
[M]+ 222.19781 154.4
[M]- 222.19891 154.4
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