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
2
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]+ 149.082166 157.6
[M+Na]+ 171.064108 164.0
[M-H]- 147.067614 161.4
[M+NH4]+ 166.108713 166.0
[M+K]+ 187.038048 163.6
[M+H-H2O]+ 131.072150 144.8
[M+HCOO]- 193.073091 163.7
[M+CH3COO]- 207.088741 234.1
[M+Na-2H]- 169.049556 156.9
[M]+ 148.07434142 150.3
[M]- 148.07543858 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