CID 2755783

1-(2-cyanoethyl)-1-methylurea

Structural Information

Molecular Formula
C5H9N3O
SMILES
CN(CCC#N)C(=O)N
InChI
InChI=1S/C5H9N3O/c1-8(5(7)9)4-2-3-6/h2,4H2,1H3,(H2,7,9)
InChIKey
ALWVUKUHYRPCOB-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.07456 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 130.0
[M+Na]+ 150.06378 137.8
[M+NH4]+ 145.10838 133.8
[M+K]+ 166.03772 131.0
[M-H]- 126.06728 122.9
[M+Na-2H]- 148.04923 130.9
[M]+ 127.07401 127.9
[M]- 127.07511 127.9
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