CID 65991979

1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethan-1-one hydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
COCC(=O)N1CC(C1)CN
InChI
InChI=1S/C7H14N2O2/c1-11-5-7(10)9-3-6(2-8)4-9/h6H,2-5,8H2,1H3
InChIKey
GCYDHLODBVDERW-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)azetidin-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 135.8
[M+Na]+ 181.09475 140.7
[M-H]- 157.09825 137.3
[M+NH4]+ 176.13935 148.3
[M+K]+ 197.06869 143.6
[M+H-H2O]+ 141.10279 124.0
[M+HCOO]- 203.10373 156.1
[M+CH3COO]- 217.11938 182.7
[M+Na-2H]- 179.08020 139.0
[M]+ 158.10498 143.5
[M]- 158.10608 143.5
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.