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]+ 128.10700 128.3
[M+Na]+ 150.08894 132.4
[M-H]- 126.09244 130.9
[M+NH4]+ 145.13354 143.1
[M+K]+ 166.06288 134.8
[M+H-H2O]+ 110.09698 117.6
[M+HCOO]- 172.09792 149.7
[M+CH3COO]- 186.11357 177.7
[M+Na-2H]- 148.07439 132.2
[M]+ 127.09917 133.9
[M]- 127.10027 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