CID 54534779

2-amino-1-cyclobutylethan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC(C1)C(=O)CN
InChI
InChI=1S/C6H11NO/c7-4-6(8)5-2-1-3-5/h5H,1-4,7H2
InChIKey
HZAPWKALBWQUQD-UHFFFAOYSA-N
Compound name
2-amino-1-cyclobutylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.6
[M+Na]+ 136.07328 128.1
[M-H]- 112.07678 126.4
[M+NH4]+ 131.11788 138.9
[M+K]+ 152.04722 130.8
[M+H-H2O]+ 96.081320 113.1
[M+HCOO]- 158.08226 145.3
[M+CH3COO]- 172.09791 174.8
[M+Na-2H]- 134.05873 128.1
[M]+ 113.08351 128.8
[M]- 113.08461 128.8
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