CID 66250331

1536816-03-1

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCOC(=O)C1(COCC1N)C
InChI
InChI=1S/C8H15NO3/c1-3-12-7(10)8(2)5-11-4-6(8)9/h6H,3-5,9H2,1-2H3
InChIKey
LHPJFKDWWPNNIB-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-methyloxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

173.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 136.8
[M+Na]+ 196.09442 143.4
[M-H]- 172.09792 140.5
[M+NH4]+ 191.13902 159.0
[M+K]+ 212.06836 144.3
[M+H-H2O]+ 156.10246 132.5
[M+HCOO]- 218.10340 158.7
[M+CH3COO]- 232.11905 179.4
[M+Na-2H]- 194.07987 141.1
[M]+ 173.10465 136.5
[M]- 173.10575 136.5
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