CID 55280744

Ethyl 2-(3-(aminomethyl)oxetan-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCOC(=O)CC1(COC1)CN
InChI
InChI=1S/C8H15NO3/c1-2-12-7(10)3-8(4-9)5-11-6-8/h2-6,9H2,1H3
InChIKey
WFUSHFQXCHYDIH-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(aminomethyl)oxetan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.1052 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.0
[M+Na]+ 196.09442 142.3
[M-H]- 172.09792 141.4
[M+NH4]+ 191.13902 151.6
[M+K]+ 212.06836 146.5
[M+H-H2O]+ 156.10246 128.0
[M+HCOO]- 218.10340 158.6
[M+CH3COO]- 232.11905 183.5
[M+Na-2H]- 194.07987 143.6
[M]+ 173.10465 147.6
[M]- 173.10575 147.6
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