CID 167812

Curcumenol

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(C=C2C)O
InChI
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKey
ISFMXVMWEWLJGJ-NZBPQXDJSA-N
Compound name
(1S,2S,5S,8R)-2,6-dimethyl-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1010
Patents

234.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.6
[M+Na]+ 257.15121 163.5
[M-H]- 233.15471 159.5
[M+NH4]+ 252.19581 181.8
[M+K]+ 273.12515 160.4
[M+H-H2O]+ 217.15925 152.8
[M+HCOO]- 279.16019 170.6
[M+CH3COO]- 293.17584 190.9
[M+Na-2H]- 255.13666 157.7
[M]+ 234.16144 154.8
[M]- 234.16254 154.8
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