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]+ 243.13527 165.7
[M+Na]+ 265.11721 168.5
[M-H]- 241.12071 169.2
[M+NH4]+ 260.16181 167.8
[M+K]+ 281.09115 170.0
[M+H-H2O]+ 225.12525 156.7
[M+HCOO]- 287.12619 166.3
[M+CH3COO]- 301.14184 248.9
[M+Na-2H]- 263.10266 162.6
[M]+ 242.12744 161.1
[M]- 242.12854 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.