CID 3146110

90609-93-1

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNC1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C9H11NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,10H,4-5H2,1H3
InChIKey
PFIIOMYDQZYTJG-UHFFFAOYSA-N
Compound name
N-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

151
Patents

165.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 131.8
[M+Na]+ 188.068198 138.8
[M-H]- 164.071704 137.5
[M+NH4]+ 183.112803 150.5
[M+K]+ 204.042138 139.4
[M+H-H2O]+ 148.076240 125.7
[M+HCOO]- 210.077181 153.0
[M+CH3COO]- 224.092831 179.6
[M+Na-2H]- 186.053646 142.6
[M]+ 165.07843142 131.4
[M]- 165.07952858 131.4
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