CID 48838

1-(2,3-dihydro-1,4-benzodioxin-2-yl)-n-methylethanamine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C1COC2=CC=CC=C2O1)NC
InChI
InChI=1S/C11H15NO2/c1-8(12-2)11-7-13-9-5-3-4-6-10(9)14-11/h3-6,8,11-12H,7H2,1-2H3
InChIKey
VUAHSCOJFWABEC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.2
[M+Na]+ 216.099498 148.1
[M-H]- 192.103004 147.6
[M+NH4]+ 211.144103 159.8
[M+K]+ 232.073438 148.7
[M+H-H2O]+ 176.107540 135.8
[M+HCOO]- 238.108481 161.7
[M+CH3COO]- 252.124131 186.5
[M+Na-2H]- 214.084946 150.7
[M]+ 193.10973142 141.9
[M]- 193.11082858 141.9
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.