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]+ 143.081506 127.8
[M+Na]+ 165.063448 136.1
[M-H]- 141.066954 129.9
[M+NH4]+ 160.108053 147.5
[M+K]+ 181.037388 137.7
[M+H-H2O]+ 125.071490 116.0
[M+HCOO]- 187.072431 149.2
[M+CH3COO]- 201.088081 192.4
[M+Na-2H]- 163.048896 133.1
[M]+ 142.07368142 125.7
[M]- 142.07477858 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.