CID 28619

Precocene i

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(C=CC2=C(O1)C=C(C=C2)OC)C
InChI
InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
InChIKey
CPTJXGLQLVPIGP-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethylchromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

4964
Patents

190.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.6
[M+Na]+ 213.08860 148.2
[M-H]- 189.09210 144.5
[M+NH4]+ 208.13320 160.6
[M+K]+ 229.06254 147.3
[M+H-H2O]+ 173.09664 133.2
[M+HCOO]- 235.09758 160.3
[M+CH3COO]- 249.11323 183.9
[M+Na-2H]- 211.07405 148.2
[M]+ 190.09883 141.6
[M]- 190.09993 141.6
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