CID 12781279

1-methyl-3,4-dihydro-1h-2-benzopyran-1-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(C2=CC=CC=C2CCO1)C=O
InChI
InChI=1S/C11H12O2/c1-11(8-12)10-5-3-2-4-9(10)6-7-13-11/h2-5,8H,6-7H2,1H3
InChIKey
QIBJMXKVELCSDJ-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydroisochromene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 134.7
[M+Na]+ 199.072938 143.0
[M-H]- 175.076444 140.0
[M+NH4]+ 194.117543 156.8
[M+K]+ 215.046878 142.0
[M+H-H2O]+ 159.080980 129.3
[M+HCOO]- 221.081921 155.5
[M+CH3COO]- 235.097571 179.3
[M+Na-2H]- 197.058386 144.5
[M]+ 176.08317142 134.8
[M]- 176.08426858 134.8
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.