CID 137952110

2219370-69-9

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)CCC1(CCOC1)N
InChI
InChI=1S/C8H15NO3/c1-11-7(10)2-3-8(9)4-5-12-6-8/h2-6,9H2,1H3
InChIKey
PCCNTBZFSSZAEE-UHFFFAOYSA-N
Compound name
methyl 3-(3-aminooxolan-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.6
[M+Na]+ 196.09442 143.3
[M-H]- 172.09792 140.9
[M+NH4]+ 191.13902 159.5
[M+K]+ 212.06836 144.2
[M+H-H2O]+ 156.10246 132.9
[M+HCOO]- 218.10340 159.6
[M+CH3COO]- 232.11905 178.2
[M+Na-2H]- 194.07987 142.4
[M]+ 173.10465 137.0
[M]- 173.10575 137.0
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.