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 133.8
[M+Na]+ 191.07909 140.5
[M-H]- 167.08259 134.0
[M+NH4]+ 186.12369 148.8
[M+K]+ 207.05303 139.3
[M+H-H2O]+ 151.08713 120.7
[M+HCOO]- 213.08807 147.4
[M+CH3COO]- 227.10372 186.3
[M+Na-2H]- 189.06454 138.8
[M]+ 168.08932 125.0
[M]- 168.09042 125.0
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