CID 14860733

Ns00061610

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(=N)CC(=O)OC
InChI
InChI=1S/C5H9NO3/c1-8-4(6)3-5(7)9-2/h6H,3H2,1-2H3
InChIKey
QUEDGLRNTBOMIT-UHFFFAOYSA-N
Compound name
methyl 3-imino-3-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.3
[M+Na]+ 154.047458 132.3
[M-H]- 130.050964 125.9
[M+NH4]+ 149.092063 147.0
[M+K]+ 170.021398 133.4
[M+H-H2O]+ 114.055500 120.4
[M+HCOO]- 176.056441 149.6
[M+CH3COO]- 190.072091 173.4
[M+Na-2H]- 152.032906 130.6
[M]+ 131.05769142 126.8
[M]- 131.05878858 126.8
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