CID 80495260

1522173-21-2

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)C1(COC1)NC2CC2
InChI
InChI=1S/C8H13NO3/c1-11-7(10)8(4-12-5-8)9-6-2-3-6/h6,9H,2-5H2,1H3
InChIKey
INVSIQHNSZEHGO-UHFFFAOYSA-N
Compound name
methyl 3-(cyclopropylamino)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 133.7
[M+Na]+ 194.078758 139.9
[M-H]- 170.082264 141.8
[M+NH4]+ 189.123363 143.2
[M+K]+ 210.052698 143.9
[M+H-H2O]+ 154.086800 123.6
[M+HCOO]- 216.087741 154.9
[M+CH3COO]- 230.103391 185.9
[M+Na-2H]- 192.064206 141.0
[M]+ 171.08899142 145.3
[M]- 171.09008858 145.3
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.