CID 57868

2-(n-methyl-n-(2-chloroethyl)aminomethyl)-1,4-benzodioxan hydrochloride

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CN(CCCl)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C12H16ClNO2/c1-14(7-6-13)8-10-9-15-11-4-2-3-5-12(11)16-10/h2-5,10H,6-9H2,1H3
InChIKey
ZZRAYPNEPKFMPT-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 154.0
[M+Na]+ 264.07618 160.6
[M-H]- 240.07968 160.3
[M+NH4]+ 259.12078 171.1
[M+K]+ 280.05012 159.9
[M+H-H2O]+ 224.08422 147.8
[M+HCOO]- 286.08516 170.0
[M+CH3COO]- 300.10081 195.8
[M+Na-2H]- 262.06163 161.7
[M]+ 241.08641 157.9
[M]- 241.08751 157.9
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.