CID 3009229

Encecalinol

Structural Information

Molecular Formula
C14H18O3
SMILES
C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O
InChI
InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1
InChIKey
ZMQPULSGBXIVGC-SECBINFHSA-N
Compound name
(1R)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.1256 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 151.6
[M+Na]+ 257.11482 160.4
[M-H]- 233.11832 156.1
[M+NH4]+ 252.15942 171.3
[M+K]+ 273.08876 159.4
[M+H-H2O]+ 217.12286 146.3
[M+HCOO]- 279.12380 170.2
[M+CH3COO]- 293.13945 191.6
[M+Na-2H]- 255.10027 157.8
[M]+ 234.12505 154.8
[M]- 234.12615 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.