CID 63657448

4-(but-3-yn-1-yl)-2,2-dimethylmorpholine

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CN(CCO1)CCC#C)C
InChI
InChI=1S/C10H17NO/c1-4-5-6-11-7-8-12-10(2,3)9-11/h1H,5-9H2,2-3H3
InChIKey
YPTQOQUKOUFXHZ-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2,2-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 131.5
[M+Na]+ 190.12023 140.4
[M-H]- 166.12373 132.6
[M+NH4]+ 185.16483 149.4
[M+K]+ 206.09417 138.1
[M+H-H2O]+ 150.12827 119.9
[M+HCOO]- 212.12921 144.6
[M+CH3COO]- 226.14486 187.4
[M+Na-2H]- 188.10568 137.4
[M]+ 167.13046 125.1
[M]- 167.13156 125.1
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.