CID 5316212

Curcumadiol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)C1=CCC(C2CCC(C2C1)(C)O)(C)O
InChI
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3
InChIKey
FNMDHMSGEIODFP-UHFFFAOYSA-N
Compound name
1,4-dimethyl-7-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

238.19328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 154.1
[M+Na]+ 261.18250 159.1
[M-H]- 237.18600 157.1
[M+NH4]+ 256.22710 176.2
[M+K]+ 277.15644 158.5
[M+H-H2O]+ 221.19054 151.1
[M+HCOO]- 283.19148 168.7
[M+CH3COO]- 297.20713 191.7
[M+Na-2H]- 259.16795 155.2
[M]+ 238.19273 148.6
[M]- 238.19383 148.6
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