CID 57059685

1-amino-3-cyclobutylpropan-2-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC(C1)CC(=O)CN
InChI
InChI=1S/C7H13NO/c8-5-7(9)4-6-2-1-3-6/h6H,1-5,8H2
InChIKey
LVSIQBPOTAVEDN-UHFFFAOYSA-N
Compound name
1-amino-3-cyclobutylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.3
[M+Na]+ 150.088938 132.4
[M-H]- 126.092444 130.9
[M+NH4]+ 145.133543 143.1
[M+K]+ 166.062878 134.8
[M+H-H2O]+ 110.096980 117.6
[M+HCOO]- 172.097921 149.7
[M+CH3COO]- 186.113571 177.7
[M+Na-2H]- 148.074386 132.2
[M]+ 127.09917142 133.9
[M]- 127.10026858 133.9
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