CID 60038611

Ethyl 2-amino-3-(oxolan-3-yl)propanoate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CCOC(=O)C(CC1CCOC1)N
InChI
InChI=1S/C9H17NO3/c1-2-13-9(11)8(10)5-7-3-4-12-6-7/h7-8H,2-6,10H2,1H3
InChIKey
XVRHRQOMQUHIOA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(oxolan-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

187.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.4
[M+Na]+ 210.11007 148.5
[M-H]- 186.11357 147.2
[M+NH4]+ 205.15467 163.6
[M+K]+ 226.08401 149.4
[M+H-H2O]+ 170.11811 138.5
[M+HCOO]- 232.11905 165.0
[M+CH3COO]- 246.13470 182.6
[M+Na-2H]- 208.09552 146.0
[M]+ 187.12030 143.1
[M]- 187.12140 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