CID 139026595

2167444-63-3

Structural Information

Molecular Formula
C12H16ClN3
SMILES
C1CC2(C1)CCN(C2)C3=CC(=NC=C3Cl)N
InChI
InChI=1S/C12H16ClN3/c13-9-7-15-11(14)6-10(9)16-5-4-12(8-16)2-1-3-12/h6-7H,1-5,8H2,(H2,14,15)
InChIKey
XGWYBMHEKPPFPN-UHFFFAOYSA-N
Compound name
4-(6-azaspiro[3.4]octan-6-yl)-5-chloropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10327 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11055 148.1
[M+Na]+ 260.09249 155.4
[M-H]- 236.09599 153.3
[M+NH4]+ 255.13709 161.2
[M+K]+ 276.06643 153.0
[M+H-H2O]+ 220.10053 135.8
[M+HCOO]- 282.10147 162.7
[M+CH3COO]- 296.11712 159.5
[M+Na-2H]- 258.07794 151.5
[M]+ 237.10272 153.4
[M]- 237.10382 153.4
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

No patent data available for this compound.