CID 3045461

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

Structural Information

Molecular Formula
C16H22O2
SMILES
CCCCCC1=C(C2=C(C=C1)OC(C=C2)(C)C)O
InChI
InChI=1S/C16H22O2/c1-4-5-6-7-12-8-9-14-13(15(12)17)10-11-16(2,3)18-14/h8-11,17H,4-7H2,1-3H3
InChIKey
FHMKFVRDAPITMV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-pentylchromen-5-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]+ 247.169266 157.7
[M+Na]+ 269.151208 166.0
[M-H]- 245.154714 161.7
[M+NH4]+ 264.195813 176.9
[M+K]+ 285.125148 163.3
[M+H-H2O]+ 229.159250 151.9
[M+HCOO]- 291.160191 176.4
[M+CH3COO]- 305.175841 194.6
[M+Na-2H]- 267.136656 163.9
[M]+ 246.16144142 160.6
[M]- 246.16253858 160.6
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.