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
4
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

literature stripe

Patent stripe

patents stripe