CID 10877889

2,2-dimethyl-2h-chromene-6-carbaldehyde

Structural Information

Molecular Formula
C12H12O2
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)C=O)C
InChI
InChI=1S/C12H12O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-8H,1-2H3
InChIKey
ZDSKIIMVDTYOLV-UHFFFAOYSA-N
Compound name
2,2-dimethylchromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

188.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.090996 137.2
[M+Na]+ 211.072938 147.0
[M-H]- 187.076444 143.1
[M+NH4]+ 206.117543 159.2
[M+K]+ 227.046878 145.6
[M+H-H2O]+ 171.080980 131.8
[M+HCOO]- 233.081921 159.1
[M+CH3COO]- 247.097571 183.1
[M+Na-2H]- 209.058386 146.8
[M]+ 188.08317142 139.5
[M]- 188.08426858 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