CID 9942427

370882-41-0

Structural Information

Molecular Formula
C11H12N4
SMILES
C1[C@@H]2CN([C@@H]2CN1)C3=CN=CC(=C3)C#N
InChI
InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)15/h1,3,5,9,11,14H,4,6-7H2/t9-,11-/m1/s1
InChIKey
GPXAWLDGWSBLKM-MWLCHTKSSA-N
Compound name
5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

145
Patents

200.1062 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 136.3
[M+Na]+ 223.09542 144.4
[M-H]- 199.09892 136.8
[M+NH4]+ 218.14002 145.7
[M+K]+ 239.06936 142.9
[M+H-H2O]+ 183.10346 116.8
[M+HCOO]- 245.10440 149.1
[M+CH3COO]- 259.12005 145.9
[M+Na-2H]- 221.08087 140.5
[M]+ 200.10565 135.6
[M]- 200.10675 135.6
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