CID 14240392

Curcumol

Structural Information

Molecular Formula
C15H24O2
SMILES
C[C@H]1CC[C@@H]2[C@]13C[C@H]([C@](O3)(CC2=C)O)C(C)C
InChI
InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15+/m0/s1
InChIKey
QRMPRVXWPCLVNI-YYFQZIEXSA-N
Compound name
(1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

146
References

1436
Patents

236.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 157.2
[M+Na]+ 259.166848 164.0
[M-H]- 235.170354 160.6
[M+NH4]+ 254.211453 183.1
[M+K]+ 275.140788 161.0
[M+H-H2O]+ 219.174890 154.4
[M+HCOO]- 281.175831 170.6
[M+CH3COO]- 295.191481 192.0
[M+Na-2H]- 257.152296 158.3
[M]+ 236.17708142 155.0
[M]- 236.17817858 155.0
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

No patent data available for this compound.