CID 102888

2869-25-2

Structural Information

Molecular Formula
C6H9N3
SMILES
CC(C#N)NC(C)C#N
InChI
InChI=1S/C6H9N3/c1-5(3-7)9-6(2)4-8/h5-6,9H,1-2H3
InChIKey
DABJAQQQVTVZMF-UHFFFAOYSA-N
Compound name
2-(1-cyanoethylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

123.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 157.1
[M+Na]+ 146.06887 163.7
[M+NH4]+ 141.11347 157.6
[M+K]+ 162.04281 154.5
[M-H]- 122.07237 146.2
[M+Na-2H]- 144.05432 155.1
[M]+ 123.07910 153.6
[M]- 123.08020 153.6
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