CID 12816914

2-(1,3-benzodioxol-5-yl)-n,n-dimethylethanamine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN(C)CCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H15NO2/c1-12(2)6-5-9-3-4-10-11(7-9)14-8-13-10/h3-4,7H,5-6,8H2,1-2H3
InChIKey
GWQGGJKNIBZRAG-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

193.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.4
[M+Na]+ 216.099498 149.6
[M-H]- 192.103004 149.4
[M+NH4]+ 211.144103 162.6
[M+K]+ 232.073438 150.9
[M+H-H2O]+ 176.107540 136.7
[M+HCOO]- 238.108481 165.6
[M+CH3COO]- 252.124131 188.6
[M+Na-2H]- 214.084946 149.8
[M]+ 193.10973142 146.1
[M]- 193.11082858 146.1
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