CID 84107679

2-(3-aminooxetan-3-yl)-n,n-dimethylacetamide

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN(C)C(=O)CC1(COC1)N
InChI
InChI=1S/C7H14N2O2/c1-9(2)6(10)3-7(8)4-11-5-7/h3-5,8H2,1-2H3
InChIKey
HVZUVBAZMQRYFI-UHFFFAOYSA-N
Compound name
2-(3-aminooxetan-3-yl)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

158.10553 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 137.5
[M+Na]+ 181.094748 141.4
[M-H]- 157.098254 142.4
[M+NH4]+ 176.139353 151.9
[M+K]+ 197.068688 146.8
[M+H-H2O]+ 141.102790 126.9
[M+HCOO]- 203.103731 159.4
[M+CH3COO]- 217.119381 186.8
[M+Na-2H]- 179.080196 142.7
[M]+ 158.10498142 145.6
[M]- 158.10607858 145.6
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