CID 49853414

2309459-47-8

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC(C1)(C2=CN=CC=C2)N
InChI
InChI=1S/C9H12N2/c10-9(4-2-5-9)8-3-1-6-11-7-8/h1,3,6-7H,2,4-5,10H2
InChIKey
QATGFCHERVPRDB-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

148.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.6
[M+Na]+ 171.089268 136.7
[M-H]- 147.092774 135.4
[M+NH4]+ 166.133873 145.3
[M+K]+ 187.063208 137.5
[M+H-H2O]+ 131.097310 119.1
[M+HCOO]- 193.098251 152.6
[M+CH3COO]- 207.113901 179.3
[M+Na-2H]- 169.074716 138.7
[M]+ 148.09950142 135.4
[M]- 148.10059858 135.4
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