CID 62440

4-(2-nitrobutyl)morpholine

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CCC(CN1CCOCC1)[N+](=O)[O-]
InChI
InChI=1S/C8H16N2O3/c1-2-8(10(11)12)7-9-3-5-13-6-4-9/h8H,2-7H2,1H3
InChIKey
GQHVWDKJTDUZRP-UHFFFAOYSA-N
Compound name
4-(2-nitrobutyl)morpholine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

781
Patents

188.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 140.3
[M+Na]+ 211.10531 150.6
[M+NH4]+ 206.14991 147.7
[M+K]+ 227.07925 148.7
[M-H]- 187.10881 143.3
[M+Na-2H]- 209.09076 143.7
[M]+ 188.11554 142.3
[M]- 188.11664 142.3
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

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