CID 43583247

[(1,3-dioxaindan-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNCC1=C2C(=CC=C1)OCO2
InChI
InChI=1S/C9H11NO2/c1-10-5-7-3-2-4-8-9(7)12-6-11-8/h2-4,10H,5-6H2,1H3
InChIKey
SBRKQMIPPKZACL-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

165.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 131.9
[M+Na]+ 188.068198 139.9
[M-H]- 164.071704 137.8
[M+NH4]+ 183.112803 152.6
[M+K]+ 204.042138 140.3
[M+H-H2O]+ 148.076240 126.7
[M+HCOO]- 210.077181 155.3
[M+CH3COO]- 224.092831 179.1
[M+Na-2H]- 186.053646 141.3
[M]+ 165.07843142 133.7
[M]- 165.07952858 133.7
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

patents stripe