CID 11041281

2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-7-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1(CCC2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C11H14O2/c1-11(2)6-5-8-3-4-9(12)7-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3
InChIKey
XKZKBTFRXIAYBM-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,4-dihydrochromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 136.3
[M+Na]+ 201.08860 144.8
[M-H]- 177.09210 140.6
[M+NH4]+ 196.13320 158.0
[M+K]+ 217.06254 143.5
[M+H-H2O]+ 161.09664 131.4
[M+HCOO]- 223.09758 155.3
[M+CH3COO]- 237.11323 178.7
[M+Na-2H]- 199.07405 144.9
[M]+ 178.09883 135.6
[M]- 178.09993 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe