CID 51816

73541-93-2

Structural Information

Molecular Formula
C8H9N3
SMILES
C1CCN(C1)C=C(C#N)C#N
InChI
InChI=1S/C8H9N3/c9-5-8(6-10)7-11-3-1-2-4-11/h7H,1-4H2
InChIKey
PEKZRDSDXUPZQB-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.07965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 144.4
[M+Na]+ 170.06887 152.8
[M-H]- 146.07237 146.3
[M+NH4]+ 165.11347 158.2
[M+K]+ 186.04281 149.5
[M+H-H2O]+ 130.07691 128.3
[M+HCOO]- 192.07785 155.1
[M+CH3COO]- 206.09350 209.3
[M+Na-2H]- 168.05432 145.5
[M]+ 147.07910 133.9
[M]- 147.08020 133.9
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