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]+ 182.15395 135.4
[M+Na]+ 204.13589 143.9
[M-H]- 180.13939 136.3
[M+NH4]+ 199.18049 152.8
[M+K]+ 220.10983 141.4
[M+H-H2O]+ 164.14393 123.6
[M+HCOO]- 226.14487 148.2
[M+CH3COO]- 240.16052 190.1
[M+Na-2H]- 202.12134 140.9
[M]+ 181.14612 129.3
[M]- 181.14722 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.