CID 45088989

643083-75-4

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C#CCNC(=O)N1CCOCC1
InChI
InChI=1S/C8H12N2O2/c1-2-3-9-8(11)10-4-6-12-7-5-10/h1H,3-7H2,(H,9,11)
InChIKey
CJIKWUXDVNYLJN-UHFFFAOYSA-N
Compound name
N-prop-2-ynylmorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 141.1
[M+Na]+ 191.07909 150.2
[M+NH4]+ 186.12369 144.6
[M+K]+ 207.05303 142.5
[M-H]- 167.08259 134.8
[M+Na-2H]- 189.06454 141.7
[M]+ 168.08932 139.4
[M]- 168.09042 139.4
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