CID 55280628

Ethyl 2-(3-aminooxetan-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCOC(=O)CC1(COC1)N
InChI
InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(8)4-10-5-7/h2-5,8H2,1H3
InChIKey
IOZAQTKXFQIWIH-UHFFFAOYSA-N
Compound name
ethyl 2-(3-aminooxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.3
[M+Na]+ 182.078758 138.0
[M-H]- 158.082264 136.9
[M+NH4]+ 177.123363 147.5
[M+K]+ 198.052698 142.5
[M+H-H2O]+ 142.086800 123.6
[M+HCOO]- 204.087741 154.2
[M+CH3COO]- 218.103391 180.6
[M+Na-2H]- 180.064206 139.5
[M]+ 159.08899142 142.5
[M]- 159.09008858 142.5
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

patents stripe