CID 84685962

1897732-96-5

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1(CCC2=C(O1)C=CC(=C2)C(C)(C)O)C
InChI
InChI=1S/C14H20O2/c1-13(2)8-7-10-9-11(14(3,4)15)5-6-12(10)16-13/h5-6,9,15H,7-8H2,1-4H3
InChIKey
NXFYLGAWCIPFOI-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 150.0
[M+Na]+ 243.13555 157.6
[M-H]- 219.13905 153.9
[M+NH4]+ 238.18015 170.0
[M+K]+ 259.10949 156.1
[M+H-H2O]+ 203.14359 145.2
[M+HCOO]- 265.14453 166.4
[M+CH3COO]- 279.16018 188.2
[M+Na-2H]- 241.12100 157.9
[M]+ 220.14578 149.9
[M]- 220.14688 149.9
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.