CID 16714

(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine

Structural Information

Molecular Formula
C10H13NO2
SMILES
CNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3
InChIKey
RPZMFKMYOVWSQN-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

179.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 136.5
[M+Na]+ 202.083858 143.2
[M-H]- 178.087364 142.0
[M+NH4]+ 197.128463 154.8
[M+K]+ 218.057798 143.5
[M+H-H2O]+ 162.091900 130.3
[M+HCOO]- 224.092841 157.4
[M+CH3COO]- 238.108491 182.6
[M+Na-2H]- 200.069306 146.8
[M]+ 179.09409142 136.5
[M]- 179.09518858 136.5
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