CID 104185411

1408064-50-5

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CN(CCC(=O)OC)C#N
InChI
InChI=1S/C6H10N2O2/c1-8(5-7)4-3-6(9)10-2/h3-4H2,1-2H3
InChIKey
HIXRWEVRBPNKFM-UHFFFAOYSA-N
Compound name
methyl 3-[cyano(methyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.8
[M+Na]+ 165.06345 136.1
[M-H]- 141.06695 129.9
[M+NH4]+ 160.10805 147.5
[M+K]+ 181.03739 137.7
[M+H-H2O]+ 125.07149 116.0
[M+HCOO]- 187.07243 149.2
[M+CH3COO]- 201.08808 192.4
[M+Na-2H]- 163.04890 133.1
[M]+ 142.07368 125.7
[M]- 142.07478 125.7
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.