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]+ 216.15943 151.7
[M+Na]+ 238.14137 159.2
[M+NH4]+ 233.18597 158.4
[M+K]+ 254.11531 155.2
[M-H]- 214.14487 153.6
[M+Na-2H]- 236.12682 153.7
[M]+ 215.15160 152.9
[M]- 215.15270 152.9
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.