CID 182645

Nootkatol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1C[C@@H](C=C2[C@]1(C[C@@H](CC2)C(=C)C)C)O
InChI
InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1
InChIKey
GFNWRKNVTHDNPV-UXOAXIEHSA-N
Compound name
(2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

220
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.8
[M+Na]+ 243.171928 158.4
[M-H]- 219.175434 155.3
[M+NH4]+ 238.216533 174.0
[M+K]+ 259.145868 154.8
[M+H-H2O]+ 203.179970 148.0
[M+HCOO]- 265.180911 167.3
[M+CH3COO]- 279.196561 190.7
[M+Na-2H]- 241.157376 154.4
[M]+ 220.18216142 147.5
[M]- 220.18325858 147.5
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