CID 10176607

Tc-2216

Structural Information

Molecular Formula
C12H17N3
SMILES
C1CC2(CCN(C2)C3=CN=CC=C3)NC1
InChI
InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
InChIKey
NXIPMBQVNTWEEX-UHFFFAOYSA-N
Compound name
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

62
Patents

203.14224 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 147.5
[M+Na]+ 226.131458 153.3
[M-H]- 202.134964 150.4
[M+NH4]+ 221.176063 166.9
[M+K]+ 242.105398 149.5
[M+H-H2O]+ 186.139500 138.2
[M+HCOO]- 248.140441 164.5
[M+CH3COO]- 262.156091 158.4
[M+Na-2H]- 224.116906 150.1
[M]+ 203.14169142 140.0
[M]- 203.14278858 140.0
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