CID 84075105

2253631-59-1

Structural Information

Molecular Formula
C6H11NO3
SMILES
COC(=O)C1(COC1)CN
InChI
InChI=1S/C6H11NO3/c1-9-5(8)6(2-7)3-10-4-6/h2-4,7H2,1H3
InChIKey
ZXLNYJBDYHECQO-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

145.0739 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 128.6
[M+Na]+ 168.063118 133.7
[M-H]- 144.066624 132.4
[M+NH4]+ 163.107723 143.4
[M+K]+ 184.037058 138.5
[M+H-H2O]+ 128.071160 119.1
[M+HCOO]- 190.072101 149.9
[M+CH3COO]- 204.087751 177.6
[M+Na-2H]- 166.048566 135.3
[M]+ 145.07335142 137.5
[M]- 145.07444858 137.5
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

patents stripe