CID 101306697

(-)-alpha-acorenol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@H]([C@]12CCC(=CC2)C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15-/m1/s1
InChIKey
XDVDHFJMCJWDPI-VNHYZAJKSA-N
Compound name
2-[(1R,4R,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.2
[M+Na]+ 245.187578 160.8
[M-H]- 221.191084 159.1
[M+NH4]+ 240.232183 177.5
[M+K]+ 261.161518 157.6
[M+H-H2O]+ 205.195620 150.9
[M+HCOO]- 267.196561 171.4
[M+CH3COO]- 281.212211 188.3
[M+Na-2H]- 243.173026 157.2
[M]+ 222.19781142 150.6
[M]- 222.19890858 150.6
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

patents stripe