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]+ 191.10666 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.