CID 75356179

Methyl 2-(3-aminooxolan-3-yl)acetate

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)CC1(CCOC1)N
InChI
InChI=1S/C7H13NO3/c1-10-6(9)4-7(8)2-3-11-5-7/h2-5,8H2,1H3
InChIKey
RQWZXXXRCWUBOV-UHFFFAOYSA-N
Compound name
methyl 2-(3-aminooxolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.0
[M+Na]+ 182.07876 139.1
[M-H]- 158.08226 136.4
[M+NH4]+ 177.12336 155.4
[M+K]+ 198.05270 140.3
[M+H-H2O]+ 142.08680 128.5
[M+HCOO]- 204.08774 155.3
[M+CH3COO]- 218.10339 175.1
[M+Na-2H]- 180.06421 138.3
[M]+ 159.08899 132.0
[M]- 159.09009 132.0
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.