CID 62384447

Ethyl 3-amino-2-[(oxan-4-yl)methyl]propanoate hydrochloride

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCOC(=O)C(CC1CCOCC1)CN
InChI
InChI=1S/C11H21NO3/c1-2-15-11(13)10(8-12)7-9-3-5-14-6-4-9/h9-10H,2-8,12H2,1H3
InChIKey
WDUABBVJQWDOAK-UHFFFAOYSA-N
Compound name
ethyl 2-(aminomethyl)-3-(oxan-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 152.8
[M+Na]+ 238.141368 155.2
[M-H]- 214.144874 155.0
[M+NH4]+ 233.185973 169.0
[M+K]+ 254.115308 155.8
[M+H-H2O]+ 198.149410 146.1
[M+HCOO]- 260.150351 170.7
[M+CH3COO]- 274.166001 189.0
[M+Na-2H]- 236.126816 154.6
[M]+ 215.15160142 150.2
[M]- 215.15269858 150.2
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.