CID 40377

1,3-benzodioxole, 5-amino-2-methyl-2-(2-morpholinoethyl)-, dihydrochloride, hemihydrate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC1(OC2=C(O1)C=C(C=C2)N)CCN3CCOCC3
InChI
InChI=1S/C14H20N2O3/c1-14(4-5-16-6-8-17-9-7-16)18-12-3-2-11(15)10-13(12)19-14/h2-3,10H,4-9,15H2,1H3
InChIKey
LHOQXNPSJNXQLT-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-morpholin-4-ylethyl)-1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 161.0
[M+Na]+ 287.136618 167.1
[M-H]- 263.140124 168.0
[M+NH4]+ 282.181223 176.2
[M+K]+ 303.110558 167.4
[M+H-H2O]+ 247.144660 153.8
[M+HCOO]- 309.145601 177.0
[M+CH3COO]- 323.161251 172.3
[M+Na-2H]- 285.122066 166.5
[M]+ 264.14685142 160.1
[M]- 264.14794858 160.1
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