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]+ 221.153606 150.0
[M+Na]+ 243.135548 157.6
[M-H]- 219.139054 153.9
[M+NH4]+ 238.180153 170.0
[M+K]+ 259.109488 156.1
[M+H-H2O]+ 203.143590 145.2
[M+HCOO]- 265.144531 166.4
[M+CH3COO]- 279.160181 188.2
[M+Na-2H]- 241.120996 157.9
[M]+ 220.14578142 149.9
[M]- 220.14687858 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.