CID 2784771

1-cyano-2,3-dimethylisourea

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN=C(NC#N)OC
InChI
InChI=1S/C4H7N3O/c1-6-4(8-2)7-3-5/h1-2H3,(H,6,7)
InChIKey
CMIPWACBRYWGPN-UHFFFAOYSA-N
Compound name
methyl N-cyano-N'-methylcarbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

113.058914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 121.8
[M+Na]+ 136.048132 130.2
[M-H]- 112.051638 124.0
[M+NH4]+ 131.092737 142.3
[M+K]+ 152.022072 131.6
[M+H-H2O]+ 96.056174 109.9
[M+HCOO]- 158.057115 145.1
[M+CH3COO]- 172.072765 187.6
[M+Na-2H]- 134.033580 129.0
[M]+ 113.05836542 117.3
[M]- 113.05946258 117.3
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