CID 22342791

833474-07-0

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CCOCC1C#C
InChI
InChI=1S/C11H17NO3/c1-5-9-8-14-7-6-12(9)10(13)15-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKey
UCNLYXLRSYTFSG-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

211.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 144.9
[M+Na]+ 234.110068 152.6
[M-H]- 210.113574 145.7
[M+NH4]+ 229.154673 159.3
[M+K]+ 250.084008 151.9
[M+H-H2O]+ 194.118110 132.7
[M+HCOO]- 256.119051 155.8
[M+CH3COO]- 270.134701 192.7
[M+Na-2H]- 232.095516 148.5
[M]+ 211.12030142 139.1
[M]- 211.12139858 139.1
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

patents stripe