CID 165980992

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

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(C2=C(CCO1)C=C(C=C2)C=O)C
InChI
InChI=1S/C12H14O2/c1-12(2)11-4-3-9(8-13)7-10(11)5-6-14-12/h3-4,7-8H,5-6H2,1-2H3
InChIKey
SDZNFVTWTUULDV-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3,4-dihydroisochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 138.7
[M+Na]+ 213.088598 147.5
[M-H]- 189.092104 144.2
[M+NH4]+ 208.133203 160.5
[M+K]+ 229.062538 146.2
[M+H-H2O]+ 173.096640 133.4
[M+HCOO]- 235.097581 159.1
[M+CH3COO]- 249.113231 183.5
[M+Na-2H]- 211.074046 147.3
[M]+ 190.09883142 139.5
[M]- 190.09992858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.