CID 100996

59259-90-4

Structural Information

Molecular Formula
C10H12O4
SMILES
COC(C1=CC2=C(C=C1)OCO2)OC
InChI
InChI=1S/C10H12O4/c1-11-10(12-2)7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,6H2,1-2H3
InChIKey
UNANDJIJRBQOOF-UHFFFAOYSA-N
Compound name
5-(dimethoxymethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

196.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 138.9
[M+Na]+ 219.062778 146.9
[M-H]- 195.066284 144.8
[M+NH4]+ 214.107383 158.5
[M+K]+ 235.036718 148.7
[M+H-H2O]+ 179.070820 133.8
[M+HCOO]- 241.071761 160.4
[M+CH3COO]- 255.087411 182.4
[M+Na-2H]- 217.048226 146.3
[M]+ 196.07301142 144.0
[M]- 196.07410858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe