CID 521618

55474-90-3

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=CC(=NC(=N1)NC#N)C
InChI
InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)
InChIKey
IOQKVEQARXJQKM-UHFFFAOYSA-N
Compound name
(4,6-dimethylpyrimidin-2-yl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

101
Patents

148.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 128.4
[M+Na]+ 171.064108 138.7
[M-H]- 147.067614 129.0
[M+NH4]+ 166.108713 144.9
[M+K]+ 187.038048 136.8
[M+H-H2O]+ 131.072150 114.4
[M+HCOO]- 193.073091 148.0
[M+CH3COO]- 207.088741 191.5
[M+Na-2H]- 169.049556 135.9
[M]+ 148.07434142 123.2
[M]- 148.07543858 123.2
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