CID 12040391

Propanenitrile, 2-[bis(cyanomethyl)amino]-

Structural Information

Molecular Formula
C7H8N4
SMILES
CC(C#N)N(CC#N)CC#N
InChI
InChI=1S/C7H8N4/c1-7(6-10)11(4-2-8)5-3-9/h7H,4-5H2,1H3
InChIKey
FIIUFZGDWANGEJ-UHFFFAOYSA-N
Compound name
2-[bis(cyanomethyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

148.07489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 157.6
[M+Na]+ 171.06411 164.0
[M-H]- 147.06761 161.4
[M+NH4]+ 166.10871 166.0
[M+K]+ 187.03805 163.6
[M+H-H2O]+ 131.07215 144.8
[M+HCOO]- 193.07309 163.7
[M+CH3COO]- 207.08874 234.1
[M+Na-2H]- 169.04956 156.9
[M]+ 148.07434 150.3
[M]- 148.07544 150.3
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

patents stripe