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
6
Annotation Hits

1
References

911
Patents

188.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 142.1
[M+Na]+ 211.105308 145.5
[M-H]- 187.108814 143.9
[M+NH4]+ 206.149913 157.9
[M+K]+ 227.079248 142.5
[M+H-H2O]+ 171.113350 139.8
[M+HCOO]- 233.114291 160.9
[M+CH3COO]- 247.129941 176.3
[M+Na-2H]- 209.090756 148.6
[M]+ 188.11554142 138.1
[M]- 188.11663858 138.1
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