CID 131751098

Acorusnol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=C2C(=O)C(CCC2(C(CC1)O)C)C(C)C
InChI
InChI=1S/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3
InChIKey
SZNXJUGSSOHWJM-UHFFFAOYSA-N
Compound name
5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.0
[M+Na]+ 259.16685 161.4
[M-H]- 235.17035 157.8
[M+NH4]+ 254.21145 175.8
[M+K]+ 275.14079 158.6
[M+H-H2O]+ 219.17489 150.4
[M+HCOO]- 281.17583 169.6
[M+CH3COO]- 295.19148 194.1
[M+Na-2H]- 257.15230 156.2
[M]+ 236.17708 151.7
[M]- 236.17818 151.7
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.