CID 170228

39615-79-7

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CNC(=O)N(C)C(=O)CC#N
InChI
InChI=1S/C6H9N3O2/c1-8-6(11)9(2)5(10)3-4-7/h3H2,1-2H3,(H,8,11)
InChIKey
DBEIAMRYPAJZHO-UHFFFAOYSA-N
Compound name
2-cyano-N-methyl-N-(methylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

155.06947 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 134.6
[M+Na]+ 178.05869 142.0
[M-H]- 154.06219 136.6
[M+NH4]+ 173.10329 153.3
[M+K]+ 194.03263 143.7
[M+H-H2O]+ 138.06673 122.3
[M+HCOO]- 200.06767 155.9
[M+CH3COO]- 214.08332 195.6
[M+Na-2H]- 176.04414 138.4
[M]+ 155.06892 130.2
[M]- 155.07002 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe