CID 46358

64011-91-2

Structural Information

Molecular Formula
C12H14N6
SMILES
C1CC(C1C(CN)(C#N)C#N)C(CN)(C#N)C#N
InChI
InChI=1S/C12H14N6/c13-3-11(4-14,5-15)9-1-2-10(9)12(6-16,7-17)8-18/h9-10H,1-3,6,13,16H2
InChIKey
ISKHJQHKQOYVCG-UHFFFAOYSA-N
Compound name
2-[2-(2-amino-1,1-dicyanoethyl)cyclobutyl]-2-(aminomethyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12799 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.135266 165.7
[M+Na]+ 265.117208 168.5
[M-H]- 241.120714 169.2
[M+NH4]+ 260.161813 167.8
[M+K]+ 281.091148 170.0
[M+H-H2O]+ 225.125250 156.7
[M+HCOO]- 287.126191 166.3
[M+CH3COO]- 301.141841 248.9
[M+Na-2H]- 263.102656 162.6
[M]+ 242.12744142 161.1
[M]- 242.12853858 161.1
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.