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

6
Patents

173.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 136.8
[M+Na]+ 196.094418 143.4
[M-H]- 172.097924 140.5
[M+NH4]+ 191.139023 159.0
[M+K]+ 212.068358 144.3
[M+H-H2O]+ 156.102460 132.5
[M+HCOO]- 218.103401 158.7
[M+CH3COO]- 232.119051 179.4
[M+Na-2H]- 194.079866 141.1
[M]+ 173.10465142 136.5
[M]- 173.10574858 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