CID 501656

494801-91-1

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCC1(CC(C2=C(O1)C=C(C=C2)O)O)C
InChI
InChI=1S/C15H22O3/c1-3-4-5-8-15(2)10-13(17)12-7-6-11(16)9-14(12)18-15/h6-7,9,13,16-17H,3-5,8,10H2,1-2H3
InChIKey
CZTYGKREMIRNDP-UHFFFAOYSA-N
Compound name
2-methyl-2-pentyl-3,4-dihydrochromene-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

250.15689 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 158.4
[M+Na]+ 273.14611 165.5
[M-H]- 249.14961 160.7
[M+NH4]+ 268.19071 176.6
[M+K]+ 289.12005 163.0
[M+H-H2O]+ 233.15415 153.0
[M+HCOO]- 295.15509 174.6
[M+CH3COO]- 309.17074 191.6
[M+Na-2H]- 271.13156 163.8
[M]+ 250.15634 159.2
[M]- 250.15744 159.2
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.