CID 102745284

1594730-31-0

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1(CN(CC(O1)(C)C)CCC#C)C
InChI
InChI=1S/C12H21NO/c1-6-7-8-13-9-11(2,3)14-12(4,5)10-13/h1H,7-10H2,2-5H3
InChIKey
GBYMEMZZERVUEF-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-2,2,6,6-tetramethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 136.8
[M+Na]+ 218.151528 146.9
[M-H]- 194.155034 138.5
[M+NH4]+ 213.196133 156.0
[M+K]+ 234.125468 144.0
[M+H-H2O]+ 178.159570 126.2
[M+HCOO]- 240.160511 149.5
[M+CH3COO]- 254.176161 193.7
[M+Na-2H]- 216.136976 142.5
[M]+ 195.16176142 131.9
[M]- 195.16285858 131.9
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.