CID 131039816

4-(but-3-yn-1-yl)-2-ethyl-2-methylmorpholine

Structural Information

Molecular Formula
C11H19NO
SMILES
CCC1(CN(CCO1)CCC#C)C
InChI
InChI=1S/C11H19NO/c1-4-6-7-12-8-9-13-11(3,5-2)10-12/h1H,5-10H2,2-3H3
InChIKey
VTRIZQCUAZYNHG-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2-ethyl-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 135.4
[M+Na]+ 204.135888 143.9
[M-H]- 180.139394 136.3
[M+NH4]+ 199.180493 152.8
[M+K]+ 220.109828 141.4
[M+H-H2O]+ 164.143930 123.6
[M+HCOO]- 226.144871 148.2
[M+CH3COO]- 240.160521 190.1
[M+Na-2H]- 202.121336 140.9
[M]+ 181.14612142 129.3
[M]- 181.14721858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.