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]+ 247.16927 157.7
[M+Na]+ 269.15121 166.0
[M-H]- 245.15471 161.7
[M+NH4]+ 264.19581 176.9
[M+K]+ 285.12515 163.3
[M+H-H2O]+ 229.15925 151.9
[M+HCOO]- 291.16019 176.4
[M+CH3COO]- 305.17584 194.6
[M+Na-2H]- 267.13666 163.9
[M]+ 246.16144 160.6
[M]- 246.16254 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.