CID 47538

2-(2-(dimethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCN(C)C
InChI
InChI=1S/C12H17NO2/c1-12(8-9-13(2)3)14-10-6-4-5-7-11(10)15-12/h4-7H,8-9H2,1-3H3
InChIKey
NYDXTNVORDUOGX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.9
[M+Na]+ 230.11515 153.7
[M-H]- 206.11865 153.1
[M+NH4]+ 225.15975 167.6
[M+K]+ 246.08909 154.9
[M+H-H2O]+ 190.12319 140.7
[M+HCOO]- 252.12413 168.7
[M+CH3COO]- 266.13978 191.2
[M+Na-2H]- 228.10060 153.9
[M]+ 207.12538 150.2
[M]- 207.12648 150.2
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.