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

1
Patents

147.07965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.086926 144.4
[M+Na]+ 170.068868 152.8
[M-H]- 146.072374 146.3
[M+NH4]+ 165.113473 158.2
[M+K]+ 186.042808 149.5
[M+H-H2O]+ 130.076910 128.3
[M+HCOO]- 192.077851 155.1
[M+CH3COO]- 206.093501 209.3
[M+Na-2H]- 168.054316 145.5
[M]+ 147.07910142 133.9
[M]- 147.08019858 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