CID 57246

97482-06-9

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CCN=C(C1)NC#N
InChI
InChI=1S/C6H9N3/c7-5-9-6-3-1-2-4-8-6/h1-4H2,(H,8,9)
InChIKey
IBGVRGOSGHSTKP-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydropyridin-6-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

123.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.3
[M+Na]+ 146.068868 131.1
[M-H]- 122.072374 124.7
[M+NH4]+ 141.113473 141.6
[M+K]+ 162.042808 129.4
[M+H-H2O]+ 106.076910 110.3
[M+HCOO]- 168.077851 142.1
[M+CH3COO]- 182.093501 184.3
[M+Na-2H]- 144.054316 131.1
[M]+ 123.07910142 114.3
[M]- 123.08019858 114.3
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