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]+ 174.112476 138.0
[M+Na]+ 196.094418 142.3
[M-H]- 172.097924 141.4
[M+NH4]+ 191.139023 151.6
[M+K]+ 212.068358 146.5
[M+H-H2O]+ 156.102460 128.0
[M+HCOO]- 218.103401 158.6
[M+CH3COO]- 232.119051 183.5
[M+Na-2H]- 194.079866 143.6
[M]+ 173.10465142 147.6
[M]- 173.10574858 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