CID 14828890

(-)-tamariscol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CC[C@@H]2[C@@H]1CC[C@@H]([C@@]2(C=C(C)C)O)C
InChI
InChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13+,14+,15+/m0/s1
InChIKey
JOARPSTUQGJONT-VQJWOFKYSA-N
Compound name
(1S,3aR,4R,5S,7aR)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.2
[M+Na]+ 245.18758 161.7
[M-H]- 221.19108 158.5
[M+NH4]+ 240.23218 179.2
[M+K]+ 261.16152 158.0
[M+H-H2O]+ 205.19562 152.1
[M+HCOO]- 267.19656 171.3
[M+CH3COO]- 281.21221 190.0
[M+Na-2H]- 243.17303 155.4
[M]+ 222.19781 151.4
[M]- 222.19891 151.4
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