CID 70221054

Ethyl 2-amino-3-[(2s)-oxolan-2-yl]propanoate hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
CCOC(=O)C(C[C@@H]1CCCO1)N
InChI
InChI=1S/C9H17NO3/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h7-8H,2-6,10H2,1H3/t7-,8?/m0/s1
InChIKey
DEZWFTPZXUAZDJ-JAMMHHFISA-N
Compound name
ethyl 2-amino-3-[(2S)-oxolan-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 144.4
[M+Na]+ 210.110068 148.5
[M-H]- 186.113574 147.2
[M+NH4]+ 205.154673 163.6
[M+K]+ 226.084008 149.4
[M+H-H2O]+ 170.118110 138.5
[M+HCOO]- 232.119051 165.0
[M+CH3COO]- 246.134701 182.6
[M+Na-2H]- 208.095516 146.0
[M]+ 187.12030142 143.1
[M]- 187.12139858 143.1
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