CID 14644886

134817-17-7

Structural Information

Molecular Formula
C10H10O3
SMILES
CC1(OC2=CC=CC(=C2O1)C=O)C
InChI
InChI=1S/C10H10O3/c1-10(2)12-8-5-3-4-7(6-11)9(8)13-10/h3-6H,1-2H3
InChIKey
RMOKRPOMUJFXSE-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-benzodioxole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 132.5
[M+Na]+ 201.05221 143.1
[M-H]- 177.05571 139.2
[M+NH4]+ 196.09681 155.4
[M+K]+ 217.02615 143.5
[M+H-H2O]+ 161.06025 128.6
[M+HCOO]- 223.06119 155.0
[M+CH3COO]- 237.07684 179.3
[M+Na-2H]- 199.03766 141.7
[M]+ 178.06244 136.9
[M]- 178.06354 136.9
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