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]+ 169.097146 133.8
[M+Na]+ 191.079088 140.5
[M-H]- 167.082594 134.0
[M+NH4]+ 186.123693 148.8
[M+K]+ 207.053028 139.3
[M+H-H2O]+ 151.087130 120.7
[M+HCOO]- 213.088071 147.4
[M+CH3COO]- 227.103721 186.3
[M+Na-2H]- 189.064536 138.8
[M]+ 168.08932142 125.0
[M]- 168.09041858 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