CID 28064961

7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C10H10O3
SMILES
CC1=CC2=C(C=C1C=O)OCCO2
InChI
InChI=1S/C10H10O3/c1-7-4-9-10(5-8(7)6-11)13-3-2-12-9/h4-6H,2-3H2,1H3
InChIKey
HQDFDCPSGBNTRJ-UHFFFAOYSA-N
Compound name
7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

178.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 133.4
[M+Na]+ 201.05221 142.1
[M-H]- 177.05571 139.5
[M+NH4]+ 196.09681 152.3
[M+K]+ 217.02615 142.6
[M+H-H2O]+ 161.06025 127.8
[M+HCOO]- 223.06119 153.7
[M+CH3COO]- 237.07684 180.2
[M+Na-2H]- 199.03766 142.9
[M]+ 178.06244 135.3
[M]- 178.06354 135.3
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

patents stripe