CID 70499

4-butylmorpholine

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCN1CCOCC1
InChI
InChI=1S/C8H17NO/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3
InChIKey
LMRKVKPRHROQRR-UHFFFAOYSA-N
Compound name
4-butylmorpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3530
Patents

143.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.8
[M+Na]+ 166.12023 137.5
[M-H]- 142.12373 134.5
[M+NH4]+ 161.16483 151.5
[M+K]+ 182.09417 138.1
[M+H-H2O]+ 126.12827 126.2
[M+HCOO]- 188.12921 151.3
[M+CH3COO]- 202.14486 174.0
[M+Na-2H]- 164.10568 139.5
[M]+ 143.13046 130.6
[M]- 143.13156 130.6
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