CID 121208110

3-((methylamino)methyl)cyclobutan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
CNCC1CC(=O)C1
InChI
InChI=1S/C6H11NO/c1-7-4-5-2-6(8)3-5/h5,7H,2-4H2,1H3
InChIKey
JIUQSIBZEPFEKB-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.5
[M+Na]+ 136.07328 129.3
[M+NH4]+ 131.11788 128.1
[M+K]+ 152.04722 125.7
[M-H]- 112.07678 122.4
[M+Na-2H]- 134.05873 126.1
[M]+ 113.08351 122.6
[M]- 113.08461 122.6
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