CID 110911

6599-04-8

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC(C)N1CCOCC1
InChI
InChI=1S/C8H17NO/c1-3-8(2)9-4-6-10-7-5-9/h8H,3-7H2,1-2H3
InChIKey
FDHGUCPWMSEFHX-UHFFFAOYSA-N
Compound name
4-butan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

544
Patents

143.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.3
[M+Na]+ 166.12023 137.8
[M-H]- 142.12373 135.1
[M+NH4]+ 161.16483 151.9
[M+K]+ 182.09417 138.7
[M+H-H2O]+ 126.12827 126.8
[M+HCOO]- 188.12921 150.8
[M+CH3COO]- 202.14486 174.8
[M+Na-2H]- 164.10568 138.7
[M]+ 143.13046 130.4
[M]- 143.13156 130.4
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