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]+ 144.10192 128.2
[M+Na]+ 166.08386 135.6
[M-H]- 142.08736 132.2
[M+NH4]+ 161.12846 150.2
[M+K]+ 182.05780 136.1
[M+H-H2O]+ 126.09190 123.9
[M+HCOO]- 188.09284 149.2
[M+CH3COO]- 202.10849 175.5
[M+Na-2H]- 164.06931 134.6
[M]+ 143.09409 125.2
[M]- 143.09519 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