CID 3045462

7-hydroxy-2,2-dimethyl-6-n-pentylchromene

Structural Information

Molecular Formula
C16H22O2
SMILES
CCCCCC1=C(C=C2C(=C1)C=CC(O2)(C)C)O
InChI
InChI=1S/C16H22O2/c1-4-5-6-7-12-10-13-8-9-16(2,3)18-15(13)11-14(12)17/h8-11,17H,4-7H2,1-3H3
InChIKey
UZIAMXCIWKUFIC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-pentylchromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 157.5
[M+Na]+ 269.15121 171.4
[M+NH4]+ 264.19581 167.8
[M+K]+ 285.12515 161.8
[M-H]- 245.15471 161.8
[M+Na-2H]- 267.13666 164.1
[M]+ 246.16144 161.0
[M]- 246.16254 161.0
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.