CID 65951939

1-(3-amino-3-methylazetidin-1-yl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CC1(CN(C1)C(=O)COC)N
InChI
InChI=1S/C7H14N2O2/c1-7(8)4-9(5-7)6(10)3-11-2/h3-5,8H2,1-2H3
InChIKey
BJECXMPDIKQEII-UHFFFAOYSA-N
Compound name
1-(3-amino-3-methylazetidin-1-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.10553 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 136.6
[M+Na]+ 181.09475 142.4
[M-H]- 157.09825 138.5
[M+NH4]+ 176.13935 151.2
[M+K]+ 197.06869 145.4
[M+H-H2O]+ 141.10279 126.4
[M+HCOO]- 203.10373 156.9
[M+CH3COO]- 217.11938 182.3
[M+Na-2H]- 179.08020 140.9
[M]+ 158.10498 144.7
[M]- 158.10608 144.7
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

No patent data available for this compound.