CID 14807649

3xi-4-copanol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)C1CCC2(C3C1C2C(CC3)(C)O)C
InChI
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(14)12(10)11/h9-13,16H,5-8H2,1-4H3
InChIKey
AZCJPMYIWXNBMH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 166.5
[M+Na]+ 245.18758 170.5
[M-H]- 221.19108 166.1
[M+NH4]+ 240.23218 186.2
[M+K]+ 261.16152 169.9
[M+H-H2O]+ 205.19562 157.6
[M+HCOO]- 267.19656 173.8
[M+CH3COO]- 281.21221 199.6
[M+Na-2H]- 243.17303 171.2
[M]+ 222.19781 174.6
[M]- 222.19891 174.6
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

No patent data available for this compound.