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

0
Patents

294.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 165.6
[M+Na]+ 317.11080 170.3
[M-H]- 293.11430 173.0
[M+NH4]+ 312.15540 178.9
[M+K]+ 333.08474 167.5
[M+H-H2O]+ 277.11884 162.9
[M+HCOO]- 339.11978 182.1
[M+CH3COO]- 353.13543 194.3
[M+Na-2H]- 315.09625 173.8
[M]+ 294.12103 164.9
[M]- 294.12213 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