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

15
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.0
[M+Na]+ 182.078758 139.1
[M-H]- 158.082264 136.4
[M+NH4]+ 177.123363 155.4
[M+K]+ 198.052698 140.3
[M+H-H2O]+ 142.086800 128.5
[M+HCOO]- 204.087741 155.3
[M+CH3COO]- 218.103391 175.1
[M+Na-2H]- 180.064206 138.3
[M]+ 159.08899142 132.0
[M]- 159.09008858 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

patents stripe