CID 15112

Dimethylcyanamide

Structural Information

Molecular Formula
C3H6N2
SMILES
CN(C)C#N
InChI
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
InChIKey
OAGOUCJGXNLJNL-UHFFFAOYSA-N
Compound name
dimethylcyanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

1424
Patents

70.0531 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.060376 110.0
[M+Na]+ 93.042318 119.4
[M-H]- 69.045824 112.6
[M+NH4]+ 88.086923 132.5
[M+K]+ 109.01626 121.0
[M+H-H2O]+ 53.050360 99.1
[M+HCOO]- 115.05130 132.5
[M+CH3COO]- 129.06695 181.4
[M+Na-2H]- 91.027766 118.0
[M]+ 70.052551 105.7
[M]- 70.053649 105.7
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.