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 134.7
[M+Na]+ 199.07294 143.0
[M-H]- 175.07644 140.0
[M+NH4]+ 194.11754 156.8
[M+K]+ 215.04688 142.0
[M+H-H2O]+ 159.08098 129.3
[M+HCOO]- 221.08192 155.5
[M+CH3COO]- 235.09757 179.3
[M+Na-2H]- 197.05839 144.5
[M]+ 176.08317 134.8
[M]- 176.08427 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.