CID 50989581

4-aminooxane-4-carboxamide

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1COCCC1(C(=O)N)N
InChI
InChI=1S/C6H12N2O2/c7-5(9)6(8)1-3-10-4-2-6/h1-4,8H2,(H2,7,9)
InChIKey
GIQLCQSZZQXKAS-UHFFFAOYSA-N
Compound name
4-aminooxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

144.08987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 130.0
[M+Na]+ 167.079088 134.8
[M-H]- 143.082594 132.8
[M+NH4]+ 162.123693 150.4
[M+K]+ 183.053028 135.5
[M+H-H2O]+ 127.087130 124.8
[M+HCOO]- 189.088071 150.6
[M+CH3COO]- 203.103721 175.5
[M+Na-2H]- 165.064536 136.0
[M]+ 144.08932142 123.4
[M]- 144.09041858 123.4
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