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]+ 196.16959 136.8
[M+Na]+ 218.15153 146.9
[M-H]- 194.15503 138.5
[M+NH4]+ 213.19613 156.0
[M+K]+ 234.12547 144.0
[M+H-H2O]+ 178.15957 126.2
[M+HCOO]- 240.16051 149.5
[M+CH3COO]- 254.17616 193.7
[M+Na-2H]- 216.13698 142.5
[M]+ 195.16176 131.9
[M]- 195.16286 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.