CID 41833

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

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC1(OC2=CC=CC=C2O1)CCOCCCN(C)C
InChI
InChI=1S/C15H23NO3/c1-15(9-12-17-11-6-10-16(2)3)18-13-7-4-5-8-14(13)19-15/h4-5,7-8H,6,9-12H2,1-3H3
InChIKey
FEICGMWWIYYVCD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.2
[M+Na]+ 288.15702 169.5
[M-H]- 264.16052 169.7
[M+NH4]+ 283.20162 182.4
[M+K]+ 304.13096 170.6
[M+H-H2O]+ 248.16506 157.2
[M+HCOO]- 310.16600 185.1
[M+CH3COO]- 324.18165 202.2
[M+Na-2H]- 286.14247 169.6
[M]+ 265.16725 170.0
[M]- 265.16835 170.0
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