CID 11401723

Refchem:539057

Structural Information

Molecular Formula
C12H17N3O
SMILES
CN1CCC(CC1)C(=O)C2=NC(=CC=C2)N
InChI
InChI=1S/C12H17N3O/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)
InChIKey
YLTJVIIEHKBRPA-UHFFFAOYSA-N
Compound name
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

219.13716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 151.3
[M+Na]+ 242.126378 156.7
[M-H]- 218.129884 154.2
[M+NH4]+ 237.170983 166.1
[M+K]+ 258.100318 153.5
[M+H-H2O]+ 202.134420 142.5
[M+HCOO]- 264.135361 169.2
[M+CH3COO]- 278.151011 191.0
[M+Na-2H]- 240.111826 154.2
[M]+ 219.13661142 145.6
[M]- 219.13770858 145.6
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