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

10433
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

literature stripe

Patent stripe

patents stripe