CID 59657862

3-amino-4,4-dimethyloxan-2-one hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCOC(=O)C1N)C
InChI
InChI=1S/C7H13NO2/c1-7(2)3-4-10-6(9)5(7)8/h5H,3-4,8H2,1-2H3
InChIKey
IMQFFSLZTYBOAZ-UHFFFAOYSA-N
Compound name
3-amino-4,4-dimethyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 128.2
[M+Na]+ 166.083858 135.6
[M-H]- 142.087364 132.2
[M+NH4]+ 161.128463 150.2
[M+K]+ 182.057798 136.1
[M+H-H2O]+ 126.091900 123.9
[M+HCOO]- 188.092841 149.2
[M+CH3COO]- 202.108491 175.5
[M+Na-2H]- 164.069306 134.6
[M]+ 143.09409142 125.2
[M]- 143.09518858 125.2
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