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]+ 172.09682 133.7
[M+Na]+ 194.07876 139.9
[M-H]- 170.08226 141.8
[M+NH4]+ 189.12336 143.2
[M+K]+ 210.05270 143.9
[M+H-H2O]+ 154.08680 123.6
[M+HCOO]- 216.08774 154.9
[M+CH3COO]- 230.10339 185.9
[M+Na-2H]- 192.06421 141.0
[M]+ 171.08899 145.3
[M]- 171.09009 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.