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]+ 177.09100 136.2
[M+Na]+ 199.07294 150.0
[M+NH4]+ 194.11754 147.4
[M+K]+ 215.04688 141.1
[M-H]- 175.07644 140.6
[M+Na-2H]- 197.05839 144.1
[M]+ 176.08317 139.7
[M]- 176.08427 139.7
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.