CID 139026672

4-(but-3-yn-1-yl)-2-tert-butyl-2-methylmorpholine

Structural Information

Molecular Formula
C13H23NO
SMILES
CC1(CN(CCO1)CCC#C)C(C)(C)C
InChI
InChI=1S/C13H23NO/c1-6-7-8-14-9-10-15-13(5,11-14)12(2,3)4/h1H,7-11H2,2-5H3
InChIKey
PFFYWYJHOUUJJU-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-but-3-ynyl-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 146.5
[M+Na]+ 232.16718 154.6
[M-H]- 208.17068 147.4
[M+NH4]+ 227.21178 163.1
[M+K]+ 248.14112 152.2
[M+H-H2O]+ 192.17522 135.0
[M+HCOO]- 254.17616 157.2
[M+CH3COO]- 268.19181 195.3
[M+Na-2H]- 230.15263 151.4
[M]+ 209.17741 140.5
[M]- 209.17851 140.5
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.