CID 3081364

Dicyclanil

Structural Information

Molecular Formula
C8H10N6
SMILES
C1CC1NC2=NC(=C(C(=N2)N)C#N)N
InChI
InChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
InChIKey
PKTIFYGCWCQRSX-UHFFFAOYSA-N
Compound name
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

31
References

10885
Patents

190.0967 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10398 140.2
[M+Na]+ 213.08592 155.0
[M-H]- 189.08942 145.2
[M+NH4]+ 208.13052 151.7
[M+K]+ 229.05986 148.0
[M+H-H2O]+ 173.09396 128.5
[M+HCOO]- 235.09490 162.4
[M+CH3COO]- 249.11055 204.4
[M+Na-2H]- 211.07137 147.0
[M]+ 190.09615 135.6
[M]- 190.09725 135.6
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.