CID 90317141

1416229-07-6

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C#C
InChI
InChI=1S/C11H17NO3/c1-5-9-8-12(6-7-14-9)10(13)15-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKey
JBOKXNRQCWCOJH-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethynylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

211.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 144.9
[M+Na]+ 234.11007 152.6
[M-H]- 210.11357 145.7
[M+NH4]+ 229.15467 159.3
[M+K]+ 250.08401 151.9
[M+H-H2O]+ 194.11811 132.7
[M+HCOO]- 256.11905 155.8
[M+CH3COO]- 270.13470 192.7
[M+Na-2H]- 232.09552 148.5
[M]+ 211.12030 139.1
[M]- 211.12140 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