CID 61279

1854-23-5

Structural Information

Molecular Formula
C13H25N3O4
SMILES
CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-]
InChI
InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3
InChIKey
XPGDDCOXMUFUCB-UHFFFAOYSA-N
Compound name
4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

449
Patents

287.1845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19178 165.6
[M+Na]+ 310.17372 174.6
[M+NH4]+ 305.21832 171.5
[M+K]+ 326.14766 173.5
[M-H]- 286.17722 170.2
[M+Na-2H]- 308.15917 168.2
[M]+ 287.18395 167.8
[M]- 287.18505 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe