CID 101048

4-(2,5-dimethoxy-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C12H16N2O5
SMILES
COC1=CC(=C(C=C1N2CCOCC2)OC)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O5/c1-17-11-8-10(14(15)16)12(18-2)7-9(11)13-3-5-19-6-4-13/h7-8H,3-6H2,1-2H3
InChIKey
IMMNPCLCFUZRHP-UHFFFAOYSA-N
Compound name
4-(2,5-dimethoxy-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

268.10593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.113206 158.6
[M+Na]+ 291.095148 163.9
[M-H]- 267.098654 164.4
[M+NH4]+ 286.139753 171.3
[M+K]+ 307.069088 159.8
[M+H-H2O]+ 251.103190 154.7
[M+HCOO]- 313.104131 178.7
[M+CH3COO]- 327.119781 191.1
[M+Na-2H]- 289.080596 165.1
[M]+ 268.10538142 158.0
[M]- 268.10647858 158.0
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