CID 40365

2-methyl-2-(2-morpholinoethyl)-5-nitro-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC1(OC2=C(O1)C=C(C=C2)[N+](=O)[O-])CCN3CCOCC3
InChI
InChI=1S/C14H18N2O5/c1-14(4-5-15-6-8-19-9-7-15)20-12-3-2-11(16(17)18)10-13(12)21-14/h2-3,10H,4-9H2,1H3
InChIKey
AFAUNBHDAXFDBQ-UHFFFAOYSA-N
Compound name
4-[2-(2-methyl-5-nitro-1,3-benzodioxol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 165.6
[M+Na]+ 317.110798 170.3
[M-H]- 293.114304 173.0
[M+NH4]+ 312.155403 178.9
[M+K]+ 333.084738 167.5
[M+H-H2O]+ 277.118840 162.9
[M+HCOO]- 339.119781 182.1
[M+CH3COO]- 353.135431 194.3
[M+Na-2H]- 315.096246 173.8
[M]+ 294.12103142 164.9
[M]- 294.12212858 164.9
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

patents stripe