CID 54594968

{[6-(difluoromethoxy)-2h-1,3-benzodioxol-5-yl]methyl}(methyl)amine

Structural Information

Molecular Formula
C10H11F2NO3
SMILES
CNCC1=CC2=C(C=C1OC(F)F)OCO2
InChI
InChI=1S/C10H11F2NO3/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)16-10(11)12/h2-3,10,13H,4-5H2,1H3
InChIKey
IVZGRRPYQYXFDD-UHFFFAOYSA-N
Compound name
1-[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0707 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07798 150.4
[M+Na]+ 254.05992 159.4
[M+NH4]+ 249.10452 156.9
[M+K]+ 270.03386 156.7
[M-H]- 230.06342 151.6
[M+Na-2H]- 252.04537 152.2
[M]+ 231.07015 151.7
[M]- 231.07125 151.7
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.