CID 73553397

2825006-40-2

Structural Information

Molecular Formula
C5H10N2O2
SMILES
COC(=O)C1(CNC1)N
InChI
InChI=1S/C5H10N2O2/c1-9-4(8)5(6)2-7-3-5/h7H,2-3,6H2,1H3
InChIKey
KIHPBMQOTQJJRW-UHFFFAOYSA-N
Compound name
methyl 3-aminoazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.07423 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 129.4
[M+Na]+ 153.06345 134.6
[M-H]- 129.06695 129.8
[M+NH4]+ 148.10805 144.0
[M+K]+ 169.03739 137.2
[M+H-H2O]+ 113.07149 119.3
[M+HCOO]- 175.07243 148.8
[M+CH3COO]- 189.08808 172.8
[M+Na-2H]- 151.04890 134.7
[M]+ 130.07368 134.5
[M]- 130.07478 134.5
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.