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 152.8
[M+Na]+ 238.14137 155.2
[M-H]- 214.14487 155.0
[M+NH4]+ 233.18597 169.0
[M+K]+ 254.11531 155.8
[M+H-H2O]+ 198.14941 146.1
[M+HCOO]- 260.15035 170.7
[M+CH3COO]- 274.16600 189.0
[M+Na-2H]- 236.12682 154.6
[M]+ 215.15160 150.2
[M]- 215.15270 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.