CID 42608186

(+)-khusimol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(C2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)CO)C
InChI
InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11?,12-,13-,15+/m1/s1
InChIKey
OOYRHNIVDZZGQV-ZRHOGWTASA-N
Compound name
[(1R,2S,5S)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.3
[M+Na]+ 243.17193 162.4
[M-H]- 219.17543 158.1
[M+NH4]+ 238.21653 183.1
[M+K]+ 259.14587 157.3
[M+H-H2O]+ 203.17997 151.8
[M+HCOO]- 265.18091 170.5
[M+CH3COO]- 279.19656 189.0
[M+Na-2H]- 241.15738 156.4
[M]+ 220.18216 151.5
[M]- 220.18326 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe