CID 1797751

2,2-dimethyl-3,4-dihydro-2h-1-benzopyran-6-carbaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CCC2=C(O1)C=CC(=C2)C=O)C
InChI
InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
IDUKOSGEQABOGY-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,4-dihydrochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.7
[M+Na]+ 213.08860 147.5
[M-H]- 189.09210 144.2
[M+NH4]+ 208.13320 160.5
[M+K]+ 229.06254 146.2
[M+H-H2O]+ 173.09664 133.4
[M+HCOO]- 235.09758 159.1
[M+CH3COO]- 249.11323 183.5
[M+Na-2H]- 211.07405 147.3
[M]+ 190.09883 139.5
[M]- 190.09993 139.5
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