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]+ 223.205636 166.5
[M+Na]+ 245.187578 170.5
[M-H]- 221.191084 166.1
[M+NH4]+ 240.232183 186.2
[M+K]+ 261.161518 169.9
[M+H-H2O]+ 205.195620 157.6
[M+HCOO]- 267.196561 173.8
[M+CH3COO]- 281.212211 199.6
[M+Na-2H]- 243.173026 171.2
[M]+ 222.19781142 174.6
[M]- 222.19890858 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.