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

32
Patents

144.08987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 130.0
[M+Na]+ 167.07909 134.8
[M-H]- 143.08259 132.8
[M+NH4]+ 162.12369 150.4
[M+K]+ 183.05303 135.5
[M+H-H2O]+ 127.08713 124.8
[M+HCOO]- 189.08807 150.6
[M+CH3COO]- 203.10372 175.5
[M+Na-2H]- 165.06454 136.0
[M]+ 144.08932 123.4
[M]- 144.09042 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